SCHEMBL5691003

SCHEMBL5691003

C=CC[S+]([O-])Cc1ccc(CCl)cc1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34

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
SCHEMBL6915524 0.80 SMN1; SMN2 (0.37)
SCHEMBL24188622 0.77 TAAR1 (0.39)
SCHEMBL5690323 0.68 CA2 (0.33) CA1CA2
SCHEMBL1653597 0.68 ALDH1A1 (0.52) CA1CA2
SCHEMBL5690887 0.66 THRA (0.35) CA1CA2
SCHEMBL9635 0.65
SCHEMBL97582 0.65 CA1 (0.52) CA1CA2
SCHEMBL9004499 0.64 CA1 (0.35) CA1CA2
SCHEMBL196856 0.63 IDO1 (0.46)
SCHEMBL11719540 0.63 CA1 (0.43) CA1CA2

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-1159327-B1 METHOD OF PRODUCING DERIVATIVES OF POLYARYLENE VINYLENE COVION ORGANIC SEMICONDUCTORS (DE) 2006-04-12 EP disclosed
US-6936683-B1 Method of producing derivatives of polyarylene vinylene COVION ORGANIC SEMICONDUCTOR GMBH (DE) 2005-08-30 US disclosed