SCHEMBL11684398

SCHEMBL11684398

O=C(O)COOC(=O)CC(=O)O.[NaH].[NaH].[NaH]

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38
TSHR P16473 2/20 0.36
CTH P32929 1/20 0.36
CBS P35520 1/20 0.36
THPO P40225 1/20 0.36
THRB P10828 1/20 0.35

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
SCHEMBL4323713 0.97 LDHA (0.40) LDHASRRTSHRCTHCBS
SCHEMBL4323705 0.90 TSHR (0.39) LDHASRRTSHRCTHCBS
SCHEMBL11342641 0.82 TSHR (0.38) TSHRCTHCBSTHPOTHRB
SCHEMBL11569331 0.80
SCHEMBL11342643 0.80 TSHR (0.36) TSHRCTHCBSTHPOTHRB
Potassium Ion SCHEMBL2596252 0.79 CA4 (0.38) TSHRCTHCBSTHPOTHRB
SCHEMBL9748913 0.79 CA4 (0.42) TSHRCTHCBSTHPOTHRB
SCHEMBL11684412 0.79 CA4 (0.42) TSHRCTHCBSTHPOTHRB
SCHEMBL94603 0.79 TSHR (0.39) TSHRCTHCBSTHPOTHRB
SCHEMBL1690886 0.78 LMNA (0.43) TSHRCTHCBSTHPOTHRB

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
US-4014930-A SEQUESTRANT AND DETERGENCY BUILDER MONSANTO COMPANY (US) 1977-03-29 US claimed