SCHEMBL3145995

SCHEMBL3145995

C=CCC(CC#N)OC(CC#N)CC=C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL10406958 0.76
Ammonia Solution, Strong SCHEMBL7717404 0.73
SCHEMBL11777378 0.72 PBRM1 (0.36)
SCHEMBL14119513 0.68
SCHEMBL14119543 0.68
SCHEMBL9765937 0.68
SCHEMBL6364418 0.68
SCHEMBL6302704 0.68
SCHEMBL1338339 0.67 TSHR (0.35)
SCHEMBL1169856 0.67 TSHR (0.30)

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
US-8632953-B2 Process for making lithographic printing plate FUJIFILM CORPORATION (JP) 2014-01-21 US disclosed
US-20100081090-A1 PROCESS FOR MAKING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-4012401-A USED IN THE PRODUCTION OF POLYURETHANE FOAMS, CYANOALKOXYALKYL-MODIFIED UNION CARBIDE CORPORATION (US) 1977-03-15 US disclosed
US-3966784-A CYANOALKYL MODIFIED SILOXANE FLUID UNION CARBIDE CORPORATION (US) 1976-06-29 US disclosed
US-3966650-A HIGH RESILIENCE, CYANOALKOXY-ALKYL MODIFIED SILOXANE FLUID UNION CARBIDE CORPORATION (US) 1976-06-29 US disclosed