SCHEMBL7738469

SCHEMBL7738469

O=C(O)c1c(F)c(F)c(C(=O)O)c(S(=O)(=O)O)c1S(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
HTT P42858 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
CYP2D6 P10635 1/20 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
SCHEMBL9405062 0.91 CA1 (0.40) CA1CA2CA12CA7CA13
SCHEMBL7917074 0.90 CA1 (0.33) CA1CA2CA12CA7CA13
SCHEMBL5014329 0.89 CA1 (0.39) CA1CA2CA12CA7CA13
SCHEMBL7074393 0.88 CA1 (0.37) CA1CA2CA12CA7CA13
SCHEMBL21800805 0.84 LCK (0.39) CA1CA2CA12CA7LCK
SCHEMBL11174351 0.81 LCK (0.37) CA1CA2CA12CA7LCK
SCHEMBL21800804 0.79 LCK (0.36) CA1CA2CA12CA7LCK
SCHEMBL6956419 0.78 CYP3A4 (0.32)
1,4-Butanediol SCHEMBL2168186 0.76 HTT (0.36) CA1CA2CA12CA7CA13
SCHEMBL28561103 0.75 MEN1 (0.43) CA1CA2HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1243043-A1 HIGH TEMPERATURE POLYBENZAZOLE AND POLYETHER ELECTROLYTES Sri International (US) 2002-09-25 EP disclosed
US-6248480-B1 High temperature polymer electrolytes SRI INTERNATIONAL 2001-06-19 US disclosed
US-6176984-B1 HIGH TEMPERATURE POLYBENZAZOLE POLYMER ELECTROLYTE COMPRISES A BENZOBISOXAZOLE, A BENZOBISTHIAZOLE OR A BENZOBISIMIDAZOLE HOMO OR COPOLYMERS SRI INTERNATIONAL 2001-01-23 US disclosed
WO-2001001510-A1 HIGH TEMPERATURE POLYMER ELECTROLYTES SRI INTERNATIONAL (US) 2001-01-04 WO disclosed
WO-2001001506-A1 HIGH TEMPERATURE POLYBENZAZOLE AND POLYETHER ELECTROLYTES SRI INTERNATIONAL (US) 2001-01-04 WO disclosed