SCHEMBL4561109

SCHEMBL4561109

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

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL12019112 0.80 ALDH1A1 (0.65) ALDH1A1CYP3A4
SCHEMBL14444153 0.79 ALDH1A1 (0.53) ALDH1A1CYP3A4
SCHEMBL3197954 0.74 ALDH1A1 (0.59) ALDH1A1CYP3A4
SCHEMBL264479 0.74 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL14493741 0.72 ALDH1A1 (0.53) ALDH1A1CYP3A4
SCHEMBL14198783 0.70 ALDH1A1 (0.73) ALDH1A1CYP3A4
SCHEMBL13386480 0.69 ALDH1A1 (0.71) ALDH1A1CYP3A4
SCHEMBL14037683 0.69 ALDH1A1 (0.53) ALDH1A1CYP3A4
SCHEMBL11747713 0.68 ALDH1A1 (0.73) ALDH1A1CYP3A4
SCHEMBL12515099 0.68 ALDH1A1 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491759-B2 Thermally hardenable single component coating materials, method for production and use thereof BASF COATINGS AG (DE) 2009-02-17 US disclosed
US-20060241219-A1 Thermally hardenable single-component coating materials, method for the production and use thereof BASF COATINGS AKTIENGESELLSCHAFT (DE) 2006-10-26 US disclosed