Heptadecanoic Acid

Heptadecanoic Acid

SCHEMBL7549840

CCCCCCCCCCCCCCCCC(=O)[O-].C[N+](C)(C)C

nearest known ligand 0.82

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 7/20 0.67
CA1 P00915 1/20 0.65
CES2 O00748 4/20 0.61
CES1 P23141 4/20 0.61
BBOX1 O75936 2/20 0.54

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
Decanoic Acid SCHEMBL107062 1.00 FABP3 (0.67) FABP3CA1CES2CES1BBOX1
Dodecanoate SCHEMBL5153809 1.00 FABP3 (0.67) FABP3CA1CES2CES1BBOX1
Heptanoate SCHEMBL108336 1.00 FABP3 (0.67) FABP3CA1CES2CES1BBOX1
Stearic Acid SCHEMBL109193 1.00 FABP3 (0.67) FABP3CA1CES2CES1BBOX1
Nonanoate SCHEMBL106670 1.00 FABP3 (0.67) FABP3CA1CES2CES1BBOX1
Palmitic Acid SCHEMBL5155811 1.00 FABP3 (0.67) FABP3CA1CES2CES1BBOX1
Octanoic Acid SCHEMBL108744 1.00 FABP3 (0.67) FABP3CA1CES2CES1BBOX1
Myristic Acid SCHEMBL5154017 1.00 FABP3 (0.67) FABP3CA1CES2CES1BBOX1
Octanoic Acid SCHEMBL28057625 0.98 FABP3 (0.64) FABP3CA1CES2CES1BBOX1
Hexanoate SCHEMBL105666 0.98 CA1 (0.68) FABP3CA1CES2CES1BBOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667366-B1 Process for the production of aromatic polycarbonate TEIJIN LTD (JP) 2002-06-26 EP disclosed
US-5516878-A CATALYTIC ESTER INTERCHANGE USING AN ALKALI METAL SALT OF AN ATE-COMPLEX OF A METAL SELECTED FROM SILICON, GERMANIUM, TIN, OR LEAD TEIJIN LIMITED (JP) 1996-05-14 US disclosed
EP-0667366-A2 Process for the production of aromatic polycarbonate TEIJIN LIMITED (JP) 1995-08-16 EP disclosed