SCHEMBL9304700

SCHEMBL9304700

Fc1ccc(C#Cc2cccc(F)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.62
CA2 P00918 3/20 0.62
CA9 Q16790 3/20 0.62
CA1 P00915 2/20 0.62
GRM5 P41594 12/20 0.56
SLC6A2 P23975 1/20 0.46
HAO1 Q9UJM8 1/20 0.43

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
SCHEMBL9302636 0.91 CA12 (0.62) CA12CA2CA9CA1GRM5
SCHEMBL31286312 0.91 CA12 (0.62) CA12CA2CA9CA1GRM5
SCHEMBL717450 0.88 CA12 (0.59) CA12CA2CA9CA1GRM5
SCHEMBL14059940 0.85 CA12 (0.57) CA12CA2CA9CA1GRM5
SCHEMBL10091168 0.85 CA12 (0.57) CA12CA2CA9CA1GRM5
SCHEMBL10300114 0.81 CA12 (0.53) CA12CA2CA9CA1GRM5
SCHEMBL9195087 0.81 FFAR1 (0.51) CA12CA2CA9CA1GRM5
SCHEMBL17104733 0.81 NPC1 (0.56) CA12CA2CA9CA1GRM5
SCHEMBL12632231 0.81 CA12 (0.53) CA12CA2CA9CA1GRM5
SCHEMBL6314495 0.81 KCNH2 (0.53) CA12CA2CA9CA1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374701-A Crosslinkable polymers of high strength free of structural defects HAY ALLAN S (CA) 1994-12-20 US disclosed
US-5233046-A DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALLAN S (CA) 1993-08-03 US disclosed
WO-1993009079-A1 DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALAN S (CA) 1993-05-13 WO disclosed