SCHEMBL31493123

SCHEMBL31493123

CCCCCCCCc1ccccc1OOC(C)=O.[Na]

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ PPARA Q07869 3/20 0.56
▸ PPARG P37231 2/20 0.56
▸ LIPG Q9Y5X9 1/20 0.47
▸ PTGS2 P35354 4/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ BID P55957 3/20 0.44
▸ MCL1 Q07820 3/20 0.44
▸ BCL2L1 Q07817 2/20 0.44
▸ BAK1 Q16611 2/20 0.44
▸ KAT8 Q9H7Z6 2/20 0.44
▸ EP300 Q09472 1/20 0.44
▸ KAT2A Q92830 1/20 0.44
▸ KAT2B Q92831 1/20 0.44
▸ KAT5 Q92993 1/20 0.44
▸ SAE1 Q9UBE0 1/20 0.44

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
SCHEMBL27509209 0.98 THRA (0.58) THRATHRBPPARAPPARGLIPG
SCHEMBL23069656 0.98 THRA (0.58) THRATHRBPPARAPPARGLIPG
SCHEMBL10359207 0.97 THRA (0.57) THRATHRBPPARAPPARGLIPG
SCHEMBL3868622 0.97 THRA (0.56) THRATHRBPPARAPPARGLIPG
SCHEMBL10790278 0.92 THRA (0.50) THRATHRBPPARAPPARGPTGS2
Ethylene Glycol SCHEMBL11870625 0.92 THRA (0.55) THRATHRBPPARAPPARGLIPG
SCHEMBL578948 0.85 THRA (0.56) THRATHRBPPARAPPARGLIPG
SCHEMBL27545083 0.85 THRA (0.56) THRATHRBPPARAPPARGLIPG
SCHEMBL5992689 0.84 THRA (0.55) THRATHRBPPARAPPARGLIPG
SCHEMBL4275189 0.83 MTNR1A (0.42) THRATHRBPPARAPPARG

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
CN-119798089-A Method for preparing trifluoroethylamine by continuous ammonolysis through micro-channel method 浙江大学 2025-04-11 — — CN claimed
CN-119798089-A Method for preparing trifluoroethylamine by continuous ammonolysis through micro-channel method 浙江大学 2025-04-11 — — CN disclosed
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