SCHEMBL17453095

SCHEMBL17453095

FC(F)=C(N1CCOCC1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA9 Q16790 3/20 0.38
CA2 P00918 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
FAAH O00519 1/20 0.37
PHGDH O43175 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALDH2 P05091 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
MGLL Q99685 1/20 0.37
MLYCD O95822 2/20 0.36
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23660970 0.86 CA12 (0.41) CA12CA1CA9CA2SMN1; SMN2
SCHEMBL19016199 0.78
SCHEMBL23661363 0.78 MLYCD (0.36) CA12CA1CA9CA2SMN1; SMN2
SCHEMBL17453108 0.78 MLYCD (0.35) CA12CA1CA9CA2SMN1; SMN2
SCHEMBL17453100 0.76 ALDH1A1 (0.35) CA12CA1CA9CA2PHGDH
SCHEMBL18942813 0.76 ALDH1A1 (0.35) CA12CA1CA9CA2PHGDH
SCHEMBL19920498 0.73 CA12 (0.38) CA12CA1CA9CA2SMN1; SMN2
SCHEMBL18942815 0.73 CYP1A2 (0.39) PHGDHALDH1A1MGLLLMNA
SCHEMBL19114901 0.73 CA12 (0.38) CA12CA1CA9CA2SMN1; SMN2
SCHEMBL17453112 0.73 CA12 (0.38) CA12CA1CA9CA2SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3303435-B1 HYDROFLUOROOLEFINS AND METHODS OF USING SAME 3M INNOVATIVE PROPERTIES CO (US) 2020-11-25 EP disclosed
EP-3169745-B1 HYDROFLUOROETHER OLEFINS AND METHODS OF USING SAME 3M INNOVATIVE PROPERTIES CO (US) 2020-04-29 EP disclosed
US-10577335-B2 Allylic terminally unsaturated hydrofluoroamine and allylic terminally unsaturated hydrofluoroether compounds and methods of using the same 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-03-03 US disclosed
US-10385249-B2 Hydrofluoroether olefins and methods of using same 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-08-20 US disclosed
US-10344006-B2 Amine-containing acyclic hydrofluoroethers and methods of using the same 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-07-09 US disclosed
US-20190040024-A1 AMINE-CONTAINING ACYCLIC HYDROFLUOROETHERS AND METHODS OF USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-02-07 US disclosed
US-10030185-B2 Hydrofluoroether olefins and methods of using same 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-07-24 US disclosed
US-10030185-B2 Hydrofluoroether olefins and methods of using same 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-07-24 US disclosed
US-20180141893-A1 HYDROFLUOROOLEFINS AND METHODS OF USING SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-05-24 US disclosed
WO-2017155735-A1 AMINE-CONTAINING CYCLIC HYDROFLUOROETHERS AND METHODS OF USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-09-14 WO disclosed
WO-2017155686-A1 AMINE-CONTAINING ACYCLIC HYDROFLUOROETHERS AND METHODS OF USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-09-14 WO disclosed
US-20170198186-A1 HYDROFLUOROETHER OLEFINS AND METHODS OF USING SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-07-13 US disclosed
US-20170198186-A1 HYDROFLUOROETHER OLEFINS AND METHODS OF USING SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-07-13 US disclosed
WO-2017095732-A1 ALLYLIC TERMINALLY UNSATURATED HYDROFLUOROAMINE AND ALLYLIC TERMINALLY UNSATURATED HYDROFLUOROETHER COMPOUNDS AND METHODS OF USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-06-08 WO disclosed
WO-2016196240-A1 HYDROFLUOROOLEFINS AND METHODS OF USING SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-12-08 WO disclosed
WO-2016011220-A1 HYDROFLUOROETHER OLEFINS AND METHODS OF USING SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-01-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10030185-B2 Hydrofluoroether olefins and methods of using same SLC46A1, FANCF, CYP4F2 CA12 297/4885CA1 345/4885CA9 1693/4885
US-20180141893-A1 HYDROFLUOROOLEFINS AND METHODS OF USING SAME RFC3, RFC2, RFC1 CA12 1746/4885CA1 2229/4885CA9 3510/4885
US-10577335-B2 Allylic terminally unsaturated hydrofluoroamine and allylic terminally unsaturated hydrofluoroether compounds and methods of using the same FPR3, NPFFR1, FFAR3 CA12 1792/4885CA1 1481/4885CA9 1854/4885
US-10344006-B2 Amine-containing acyclic hydrofluoroethers and methods of using the same AFF1, AFF2, FANCF CA12 718/4885CA1 193/4885CA9 1277/4885
US-10385249-B2 Hydrofluoroether olefins and methods of using same SLC46A1, CYP4F2, FANCF CA12 261/4885CA1 507/4885CA9 1726/4885
US-20190040024-A1 AMINE-CONTAINING ACYCLIC HYDROFLUOROETHERS AND METHODS OF USING THE SAME AFF1, AFF2, FANCF CA12 718/4885CA1 193/4885CA9 1277/4885
US-20170198186-A1 HYDROFLUOROETHER OLEFINS AND METHODS OF USING SAME SLC46A1, FANCF, CYP4F2 CA12 297/4885CA1 345/4885CA9 1693/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.