SCHEMBL17358306

SCHEMBL17358306

O=S(=O)(N(CCOCCOCCO)CCOCCOCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.36
MMP2 P08253 7/20 0.36
MMP9 P14780 7/20 0.36
MMP8 P22894 7/20 0.36
MMP13 P45452 7/20 0.36
CA2 P00918 7/20 0.36
CA1 P00915 4/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
F2 P00734 3/20 0.31
PRSS1 P07477 3/20 0.31
PRSS2 P07478 3/20 0.31
PRSS3 P35030 3/20 0.31

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
SCHEMBL5551714 0.98 CA2 (0.35) MMP1MMP2MMP9MMP8MMP13
SCHEMBL15932430 0.98 MMP1 (0.36) MMP1MMP2MMP9MMP8MMP13
SCHEMBL15932431 0.95 MMP1 (0.35) MMP1MMP2MMP9MMP8MMP13
SCHEMBL19257351 0.93 ALDH1A1 (0.38) MMP1MMP2MMP9MMP8MMP13
SCHEMBL17358304 0.91 CA1 (0.33) MMP1MMP2MMP9MMP8MMP13
SCHEMBL2888010 0.90 MMP1 (0.33) MMP1MMP2MMP9MMP8MMP13
SCHEMBL10438316 0.88 MMP1 (0.33) MMP1MMP2MMP9MMP8MMP13
SCHEMBL10438318 0.88 MMP1 (0.33) MMP1MMP2MMP9MMP8MMP13
SCHEMBL29457183 0.88 MMP1 (0.33) MMP1MMP2MMP9MMP8MMP13
SCHEMBL17358308 0.87 TSHR (0.36) MEN1KMT2ATSHRMAPK1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2951217-B1 SURFACTANTS AND METHODS OF MAKING AND USING SAME 3M INNOVATIVE PROPERTIES CO (US) 2017-08-16 EP disclosed
US-9725683-B2 Surfactants and methods of making and using same 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-08-08 US disclosed
US-9725683-B2 Surfactants and methods of making and using same 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-08-08 US disclosed
US-20170114308-A1 SURFACTANTS AND METHODS OF MAKING AND USING SAME 3M INNOVATIVE PROPERTIES CO (US) 2017-04-27 US disclosed
US-20170114308-A1 SURFACTANTS AND METHODS OF MAKING AND USING SAME 3M INNOVATIVE PROPERTIES CO (US) 2017-04-27 US disclosed
US-9562212-B2 Surfactants and methods of making and using same 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-02-07 US disclosed
US-9562212-B2 Surfactants and methods of making and using same 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-02-07 US disclosed
US-20160376533-A1 SURFACTANTS AND METHODS OF MAKING AND USING SAME 3M INNOVATIVE PROPERTIES CO (US) 2016-12-29 US disclosed
US-9454082-B2 Surfactants and methods of making and using same 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-09-27 US disclosed
US-9454082-B2 Surfactants and methods of making and using same 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-09-27 US disclosed
US-20150370171-A1 SURFACTANTS AND METHODS OF MAKING AND USING SAME 3M INNOVATIVE PROPERTIES COMPANY 2015-12-24 US disclosed
US-20150370171-A1 SURFACTANTS AND METHODS OF MAKING AND USING SAME 3M INNOVATIVE PROPERTIES COMPANY 2015-12-24 US disclosed