SCHEMBL10765263

SCHEMBL10765263

CC1(C)CC(CN=C=O)CC(C)(CN=C=O)C1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
CYP3A4 P08684 1/20 0.62

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
SCHEMBL375099 0.91 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL31737903 0.84 ALDH1A1 (0.44) ALDH1A1CYP3A4
SCHEMBL25005510 0.82 ALDH1A1 (0.43) ALDH1A1CYP3A4
SCHEMBL7107357 0.81 ALDH1A1 (0.81) ALDH1A1CYP3A4
SCHEMBL19215771 0.79 ALDH1A1 (0.66) ALDH1A1CYP3A4
SCHEMBL10013736 0.79 ALDH1A1 (0.66) ALDH1A1CYP3A4
SCHEMBL7089674 0.79 ALDH1A1 (0.66) ALDH1A1CYP3A4
SCHEMBL19217556 0.79 ALDH1A1 (0.66) ALDH1A1CYP3A4
SCHEMBL28132434 0.79 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL23604782 0.78 ALDH1A1 (0.64) ALDH1A1CYP3A4

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
EP-0227140-A1 Vapour-phase cure of a coating composition containing an aliphatic polyisocyanate and a tertiary amine polyahl AKZO N.V. (NL) 1987-07-01 EP disclosed
US-4677029-A Vapor-phase cure of coating compositions containing an aliphatic polyisocyanate and a tertiary amine polyahl AKZO AMERICA INC. (US) 1987-06-30 US disclosed
US-4150211-A Pulverulent coating substance BAYER AKTIENGESELLSCHAFT (DE) 1979-04-17 US disclosed