SCHEMBL20310862

SCHEMBL20310862

C=Cc1c(/C=C\C)n(-c2ccccc2-c2cc(-c3ccccc3)c(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2-c2ccccc2)c2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL26481882 0.91 ALDH1A1 (0.33) ALDH1A1HSD17B10
SCHEMBL25941120 0.91 ALDH1A1 (0.34) ALDH1A1
SCHEMBL24752413 0.81 ALDH1A1 (0.33) ALDH1A1HSD17B10
SCHEMBL24495899 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL24902881 0.80 — —
SCHEMBL12856737 0.79 ALDH1A1 (0.46) ALDH1A1HSD17B10
SCHEMBL24902286 0.78 — —
SCHEMBL23816738 0.78 PER2 (0.31) —
SCHEMBL23597332 0.76 — —
SCHEMBL26018435 0.76 — —

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-2272828-B1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL & SUMIKIN CHEM CO (JP) 2018-06-27 — — EP disclosed
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