SCHEMBL8664122

SCHEMBL8664122

CC1C(CN=C=O)CC(C)(C)CC1N=C=O

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL6903686 0.77 ALDH1A1 (0.39) ALDH1A1CYP3A4
SCHEMBL3890936 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3480068 0.69
SCHEMBL2446309 0.68 ALDH1A1 (0.49) ALDH1A1CYP3A4
SCHEMBL364965 0.67 ALDH1A1 (0.33) ALDH1A1CYP3A4
SCHEMBL231493 0.67
SCHEMBL7763834 0.67
SCHEMBL27401653 0.67 ALDH1A1 (0.51) ALDH1A1CYP3A4
SCHEMBL11573881 0.67 ALDH1A1 (0.41) ALDH1A1CYP3A4
SCHEMBL9420081 0.67 ALDH1A1 (0.35) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0473548-B1 Adducts from hydroxyl groups-containing epoxy resins and isocyanates and their use CIBA GEIGY AG (CH) 1998-12-09 EP disclosed
EP-0424314-B1 Heat curable mixtures CIBA GEIGY AG (CH) 1994-12-07 EP disclosed
US-5272227-A Adducts of hydroxyl group containing epoxy resins and isocyanates and use thereof CIBA-GEIGY CORPORATION (US) 1993-12-21 US disclosed
US-5149767-A Epoxy compound or resin and polyisocyanate; high heat distortion point CIBA-GEIGY CORPORATION (US) 1992-09-22 US disclosed
EP-0473548-A2 Adducts from hydroxyl groups-containing epoxy resins and isocyanates and their use CIBA-GEIGY AG (CH) 1992-03-04 EP disclosed
EP-0424314-A2 Heat curable mixtures CIBA-GEIGY AG (CH) 1991-04-24 EP disclosed