SCHEMBL2869397

SCHEMBL2869397

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

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL1081188 0.90 ALDH1A1 (0.51) ALDH1A1CYP3A4
SCHEMBL374602 0.86 ALDH1A1 (0.53) ALDH1A1CYP3A4
SCHEMBL1712651 0.85 ALDH1A1 (0.47) ALDH1A1CYP3A4
SCHEMBL661926 0.85 ALDH1A1 (0.47) ALDH1A1CYP3A4
SCHEMBL1123428 0.85 ALDH1A1 (0.41) ALDH1A1CYP3A4
SCHEMBL7097982 0.84 ALDH1A1 (0.44) ALDH1A1CYP3A4
SCHEMBL14639904 0.84 ALDH1A1 (0.44) ALDH1A1CYP3A4
Cyanate SCHEMBL20544032 0.82 ALDH1A1 (0.45) ALDH1A1CYP3A4
SCHEMBL19924891 0.81
SCHEMBL3074284 0.81 ALDH1A1 (0.44) 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
EP-2655460-B1 REACTIVE POLYURETHANE COMPOSITION COMPRISING ABRASION-RESISTANT FILLERS KLEBCHEMIE M G BECKER GMBH (DE) 2015-04-01 EP claimed
EP-1831277-B1 METHOD FOR PRODUCING REACTIVE POLYURETHANE COMPOSITIONS KLEBCHEMIE M G BECKER GMBH (DE) 2010-01-13 EP claimed