SCHEMBL7865629

SCHEMBL7865629

C=CCC1(CC=C)OC1CN

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL10675046 0.69
SCHEMBL11124140 0.56
SCHEMBL5247374 0.54
SCHEMBL9500240 0.53
SCHEMBL2517421 0.53
SCHEMBL11212390 0.51
Allylamine SCHEMBL6032547 0.51
Allylamine SCHEMBL15197 0.51
Allylamine SCHEMBL8755071 0.51 ALDH1A1 (0.60) ALDH1A1
SCHEMBL22604384 0.50 ALDH1A1 (0.33) ALDH1A1

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-1080271-A1 A PROCESS FOR THE PRODUCTION OF PAPER Akzo Nobel N.V. (NL) 2001-03-07 EP disclosed
WO-1999055964-A1 A PROCESS FOR THE PRODUCTION OF PAPER AKZO NOBEL N.V. (NL) 1999-11-04 WO disclosed