SCHEMBL8629595

SCHEMBL8629595

O=C(O)C1(C(=O)O)CCCC(C(=O)O)(C(=O)O)C1(C(=O)O)C(=O)O.O=C(O)C1(C(=O)O)CCCC1(C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.33
CYP2C19 P33261 1/20 0.31

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
SCHEMBL471854 0.97 FFAR3 (0.35) FFAR3CYP2C19
Water SCHEMBL31091595 0.94 FFAR3 (0.33) FFAR3CYP2C19
SCHEMBL10918921 0.94 FFAR3 (0.33) FFAR3CYP2C19
SCHEMBL27533794 0.94 FFAR3 (0.33) FFAR3CYP2C19
SCHEMBL11600643 0.94 FFAR3 (0.33) FFAR3CYP2C19
SCHEMBL20679 0.88 FFAR3 (0.40) FFAR3CYP2C19
Hydrochloric Acid SCHEMBL2294530 0.88 FFAR3 (0.40) FFAR3CYP2C19
Hydrochloric Acid SCHEMBL627730 0.88 FFAR3 (0.40) FFAR3CYP2C19
SCHEMBL4451736 0.85 FFAR3 (0.38) FFAR3CYP2C19
Ammonia Solution, Strong SCHEMBL11323082 0.85 FFAR3 (0.38) FFAR3CYP2C19

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-0611392-B1 DETERGENT COMPOSITIONS COMPRISING GLYCERYL ETHERS PROCTER & GAMBLE (US) 1998-07-15 EP disclosed
EP-0611392-A4 DETERGENT COMPOSITIONS COMPRISING GLYCERYL ETHERS. PROCTER & GAMBLE (US) 1995-02-08 EP disclosed
EP-0611392-A1 DETERGENT COMPOSITIONS COMPRISING GLYCERYL ETHERS THE PROCTER & GAMBLE COMPANY (US) 1994-08-24 EP disclosed
WO-1993009214-A1 DETERGENT COMPOSITIONS COMPRISING GLYCERYL ETHERS THE PROCTER & GAMBLE COMPANY (US) 1993-05-13 WO disclosed