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Sugi Predict / Compounds / Trimethylammonium

Trimethylammonium

Trimethylammonium

SCHEMBL7513987

CC(O)C(OS(C)(=O)=O)C(=O)OCOc1ccc(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=O.CN(C)C

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 17/20 0.38
▸ GAA P10253 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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 0.89 PTGER1 (0.35) PTGER1GAA
Trimethylammonium SCHEMBL7510976 0.86 GAA (0.38) PTGER1GAA
SCHEMBL8059174 0.81 PTGER1 (0.38) PTGER1GAACYP2C9
SCHEMBL7510979 0.80 PTGER1 (0.36) PTGER1GAACYP2C9
SCHEMBL7508378 0.80 PTGER1 (0.37) PTGER1GAA
SCHEMBL7519501 0.79 PTGER1 (0.37) PTGER1GAACYP2C9
SCHEMBL8047834 0.79 PTGER1 (0.38) PTGER1GAACYP2C9
Hydrochloric Acid SCHEMBL7511583 0.78 GAA (0.38) PTGER1GAA
SCHEMBL7208554 0.77 KMT2A (0.39) PTGER1
SCHEMBL7213528 0.77 KMT2A (0.40) PTGER1GAA

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