SCHEMBL9502432

SCHEMBL9502432

C=CCN(CC=C)P(N)(=O)N(Cl)Cl

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
Hydrochloric Acid SCHEMBL38651990 0.73 ALDH1A1 (0.34) ALDH1A1
SCHEMBL10786844 0.71 ALDH1A1 (0.38) ALDH1A1
SCHEMBL9502482 0.71 ALDH1A1 (0.30) ALDH1A1
SCHEMBL707960 0.70 ALDH1A1 (0.36) ALDH1A1
SCHEMBL4212873 0.70 ALDH1A1 (0.36) ALDH1A1
SCHEMBL423317 0.69 ALDH1A1 (0.39) ALDH1A1
SCHEMBL9216457 0.69
SCHEMBL2788515 0.67 ALDH1A1 (0.41) ALDH1A1
SCHEMBL11666366 0.67 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6006269 0.65 ALDH1A1 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0370317-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-CHLOROPYRIDINES BAYER AG (DE) 1993-06-02 EP claimed