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Sugi Predict / Compounds / Trimethylammonium

Trimethylammonium

Trimethylammonium

SCHEMBL7510976

CN(C)C.CS(=O)(=O)OCC(=O)OCOc1ccc(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ PTGER1 P34995 12/20 0.36
▸ PTGDR2 Q9Y5Y4 3/20 0.35
▸ CETP P11597 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
Trimethylammonium SCHEMBL7513529 0.87 PTGER1 (0.35) GAAPTGER1PTGDR2
Trimethylammonium SCHEMBL7513987 0.86 PTGER1 (0.38) GAAPTGER1
SCHEMBL8059174 0.85 PTGER1 (0.38) GAAPTGER1CETP
SCHEMBL7510979 0.85 PTGER1 (0.36) GAAPTGER1PTGDR2CETP
SCHEMBL7508378 0.85 PTGER1 (0.37) GAAPTGER1
SCHEMBL8047834 0.83 PTGER1 (0.38) GAAPTGER1
Hydrochloric Acid SCHEMBL7511583 0.82 GAA (0.38) GAAPTGER1
SCHEMBL7519501 0.81 PTGER1 (0.37) GAAPTGER1CETP
SCHEMBL7208554 0.80 KMT2A (0.39) PTGER1PTGDR2CETP
SCHEMBL7213528 0.80 KMT2A (0.40) GAAPTGER1PTGDR2CETP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051173-A4 DERIVATIVES OF 1,3,4-OXADIAZOLONE BRISTOL MYERS SQUIBB CO (US) 2002-07-31 — — EP claimed
EP-1051173-A1 DERIVATIVES OF 1,3,4-OXADIAZOLONE Bristol-Myers Squibb Company (US) 2000-11-15 — — EP claimed
US-6034113-A ANTIISCHEMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-07 — — US claimed
WO-1999038510-A1 DERIVATIVES OF 1,3,4-OXADIAZOLONE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-08-05 — — WO claimed