SCHEMBL30059611

SCHEMBL30059611

O=C(NCCNCCNCCNCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 2/20 0.55
CA5A P35218 2/20 0.55
CA5B Q9Y2D0 2/20 0.55
ALDH1A1 P00352 2/20 0.46
CA2 P00918 5/20 0.45
CA12 O43570 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 4/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
STS P08842 1/20 0.38
EPHX1 P07099 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL30985215 0.94 CA3 (0.53) CA3CA5ACA5BALDH1A1CA2
SCHEMBL30985235 0.92 CA3 (0.52) CA3CA5ACA5BALDH1A1CA2
SCHEMBL11411420 0.92 CA3 (0.52) CA3CA5ACA5BALDH1A1CA2
SCHEMBL6941681 0.86 ALDH1A1 (0.42) CA3CA5ACA5BALDH1A1CA2
SCHEMBL28890658 0.83 ALDH1A1 (0.64) CA3CA5ACA5BALDH1A1CA2
SCHEMBL30061638 0.81 CA3 (0.46) CA3CA5ACA5BALDH1A1CA2
SCHEMBL30059608 0.81 CA3 (0.46) CA3CA5ACA5BALDH1A1CA2
SCHEMBL28087298 0.81 ALDH1A1 (0.45) CA3CA5ACA5BALDH1A1CA2
SCHEMBL5242310 0.81 ALDH1A1 (0.45) CA3CA5ACA5BALDH1A1CA2
SCHEMBL11415522 0.80 ALDH1A1 (0.56) CA3CA5ACA5BALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218202-A1 ELECTRONIC TELECOMMUNICATIONS ARTICLES AND COMPOSITIONS COMPRISING FLUORINATED CURING AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2024-07-04 US disclosed
WO-2022234358-A1 ELECTRONIC TELECOMMUNICATIONS ARTICLES AND COMPOSITIONS COMPRISING FLUROINATED CURING AGENTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-11-10 WO disclosed