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SCHEMBL27488343

SCHEMBL27488343

CCC(C)(C(=O)O)C(C(=O)O)(C(=O)O)S(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TSHR P16473 2/20 0.31
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HIF1A Q16665 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
SCHEMBL9154668 0.81 TSHR (0.44) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL284018 0.71 TSHR (0.40) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL6555695 0.70 ALDH1A1 (0.39) ALDH1A1L3MBTL1TSHRCYP2D6CYP2C19
Ammonia Solution, Strong SCHEMBL28651755 0.69 TSHR (0.38) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL10830599 0.69 TSHR (0.38) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL28727403 0.69 TSHR (0.38) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL9710097 0.69 TSHR (0.38) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL28011339 0.68 ALDH1A1 (0.37) ALDH1A1L3MBTL1TSHRCYP2D6CYP2C19
SCHEMBL800011 0.67 ALDH1A1 (0.36) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL5274369 0.67 TSHR (0.36) ALDH1A1TSHRCYP2D6CYP2C19HIF1A

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
CN-1210854-A Synthesis of carboxylalkyl thiosuccnic acid ELF AQUITAINE EXPLORATION PROD (FR) 1999-03-17 — — CN disclosed