SCHEMBL11279516

SCHEMBL11279516

C=CC(NC)OC(=O)C(=C)C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.36
THRB P10828 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
SCHEMBL368698 0.77 ALDH1A1 (0.39) ALDH1A1TSHRTHRB
SCHEMBL27385530 0.76 ALDH1A1 (0.44) ALDH1A1TSHRTHRB
SCHEMBL15524572 0.74 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL37915 0.74 ALDH1A1 (0.42) ALDH1A1TSHRTHRB
SCHEMBL202767 0.74 ALDH1A1 (0.48) ALDH1A1TSHRTHRB
SCHEMBL8816362 0.74 ALDH1A1 (0.42) ALDH1A1TSHRTHRB
SCHEMBL809329 0.74 TSHR (0.43) ALDH1A1TSHRTHRB
SCHEMBL11282324 0.74 TSHR (0.39) ALDH1A1TSHR
SCHEMBL27741747 0.73 ALDH1A1 (0.60) ALDH1A1TSHRTHRB
SCHEMBL3737147 0.73 TSHR (0.41) ALDH1A1TSHRTHRB

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
US-4309178-A Process for isolating sulphur dyestuffs from aqueous crude melts containing sodium polysulphide CASSELLA AKTIENGESELLSCHAFT (DE) 1982-01-05 US claimed
US-4309178-A Process for isolating sulphur dyestuffs from aqueous crude melts containing sodium polysulphide CASSELLA AKTIENGESELLSCHAFT (DE) 1982-01-05 US disclosed