SCHEMBL31727304

SCHEMBL31727304

C=CC(=O)OCCCC.CCC=C(CCCCCC)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 8/20 0.61
▸ HPGD P15428 1/20 0.61
▸ ALDH1A1 P00352 3/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ HCAR2 Q8TDS4 3/20 0.44
▸ ATM Q13315 1/20 0.44
▸ DGKA P23743 1/20 0.39
▸ APEX1 P27695 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ DNM1 Q05193 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ PAM P19021 2/20 0.36

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
SCHEMBL20448165 0.97 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL29942887 0.89 TSHR (0.48) TSHRHPGDALDH1A1CYP3A4HCAR2
Acrylic Acid SCHEMBL277786 0.85 GPR84 (0.45) TSHRALDH1A1HSD17B10
SCHEMBL31270920 0.85 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4HCAR2
Stearic Acid SCHEMBL28139957 0.82 TSHR (0.73) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL29842332 0.82 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL30900564 0.82 GPR84 (0.52) TSHRALDH1A1APEX1HSD17B10
SCHEMBL29132849 0.82 GPR84 (0.52) TSHRALDH1A1APEX1HSD17B10
SCHEMBL5077544 0.82 GPR84 (0.52) TSHRALDH1A1APEX1HSD17B10
SCHEMBL1864621 0.82 GPR84 (0.52) TSHRALDH1A1APEX1HSD17B10

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
WO-2025233672-A1 EMULSION AND A PROCESS FOR ITS PREPARATION KANSAI NEROLAC PAINTS LIMITED (IN) 2025-11-13 — — WO disclosed
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