SCHEMBL7144020

SCHEMBL7144020

CCCC=C(C#N)C(=O)OOCC(C)OC(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 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
SCHEMBL7150448 0.90
SCHEMBL5555208 0.88 CYP2C9 (0.31) CYP2C9
SCHEMBL7147461 0.87
SCHEMBL5560642 0.86 CYP2C9 (0.33) CYP2C9
SCHEMBL6668627 0.86 ALDH1A1 (0.39) CYP2C9
SCHEMBL5561131 0.85 CYP2C9 (0.30) CYP2C9
SCHEMBL5560661 0.82
SCHEMBL5561758 0.81 LPAR1 (0.30) CYP2C9
SCHEMBL29045740 0.79 CYP2C9 (0.40) CYP2C9
SCHEMBL5555309 0.78 CYP2C9 (0.31) CYP2C9

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
EP-1360257-A1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS Loctite (R & D) Limited (IE) 2003-11-12 EP disclosed
WO-2002053666-A1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS LOCTITE (R & D) LIMITED (IE) 2002-07-11 WO disclosed