SCHEMBL11267407

SCHEMBL11267407

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nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL14417675 0.84
SCHEMBL14417674 0.84
SCHEMBL2146392 0.82 CA12 (0.46) ALDH1A1
SCHEMBL11410452 0.80
SCHEMBL11409085 0.80
SCHEMBL4056624 0.78 EPHX1 (0.46) ALDH1A1
SCHEMBL10050987 0.77
SCHEMBL11409346 0.77
SCHEMBL8563651 0.77
SCHEMBL10050983 0.77

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-0018473-B1 PROCESS FOR THE PREPARATION OF BETA-ALKOXY-ACRYLONITRILES, 3-AMINO-ACRYLONITRILES AND 2-CYANO-VINYL ESTERS HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) 1982-12-29 EP disclosed
US-4319024-A ALKYLATION DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1982-03-09 US disclosed
EP-0018473-A1 Process for the preparation of beta-alkoxy-acrylonitriles, 3-amino-acrylonitriles and 2-cyano-vinyl esters HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) 1980-11-12 EP disclosed