SCHEMBL9520004

SCHEMBL9520004

[CH]1CCOC1C1CCCCCC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9297048 0.87
SCHEMBL27188788 0.81
SCHEMBL14635932 0.78
SCHEMBL20299369 0.73
SCHEMBL3387204 0.70 CHRM2 (0.34)
SCHEMBL1276932 0.66
SCHEMBL22715970 0.62
SCHEMBL5704247 0.60 ALDH1A1 (0.41) ALDH1A1
SCHEMBL21579078 0.60 ALDH1A1 (0.41) ALDH1A1
SCHEMBL3099816 0.60 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0323487-B1 HETEROCYCLIC COMPOUNDS CIBA-GEIGY AG (CH) 1993-03-31 EP disclosed
EP-0323487-A1 HETEROCYCLIC COMPOUNDS. HOFFMANN LA ROCHE (CH) 1989-07-12 EP disclosed
WO-1988010254-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1988-12-29 WO disclosed