Heptanoate

Heptanoate

SCHEMBL7723609

CC(C)[O-].CC(C)[O-].CC(C)[O-].CCCCCCC(=O)[O-].[Ti+4]

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 7/20 0.62
CA1 P00915 1/20 0.60
CES2 O00748 4/20 0.56
CES1 P23141 4/20 0.56
NFKB1 P19838 1/20 0.55
GPR84 Q9NQS5 1/20 0.53

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
Stearic Acid SCHEMBL1230619 1.00 FABP3 (0.62) FABP3CA1CES2CES1NFKB1
Stearic Acid SCHEMBL29679275 1.00 FABP3 (0.62) FABP3CA1CES2CES1NFKB1
Hexanoate SCHEMBL1230872 0.98 CA1 (0.62) FABP3CA1CES2CES1NFKB1
Dodecanoate SCHEMBL31544319 0.96 FABP3 (0.62) FABP3CA1CES2CES1NFKB1
Decanoic Acid SCHEMBL6153196 0.96 FABP3 (0.62) FABP3CA1CES2CES1NFKB1
Palmitic Acid SCHEMBL8803956 0.96 FABP3 (0.62) FABP3CA1CES2CES1NFKB1
Stearic Acid SCHEMBL31364148 0.96 FABP3 (0.62) FABP3CA1CES2CES1NFKB1
Stearic Acid SCHEMBL1228588 0.96 FABP3 (0.62) FABP3CA1CES2CES1NFKB1
Octanoic Acid SCHEMBL6153026 0.96 FABP3 (0.62) FABP3CA1CES2CES1NFKB1
Stearic Acid SCHEMBL1230185 0.96 FABP3 (0.62) FABP3CA1CES2CES1NFKB1

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-0890556-B1 THIN FILM FOR OPTICS, COMPOSITION FOR THE FORMATION THEREOF, AND ULTRAVIOLET-ABSORBING AND HEAT-REFLECTING GLASS MADE BY USING THE SAME NIPPON SHEET GLASS CO LTD (JP) 2002-04-24 EP disclosed
US-6153127-A Optical thin film, forming composition thereof, and ultraviolet ray absorbing and thermic ray reflecting glass using the same NIPPON SHEET GLASS CO., LTD. (JP) 2000-11-28 US disclosed
EP-0890556-A1 THIN FILM FOR OPTICS, COMPOSITION FOR THE FORMATION THEREOF, AND ULTRAVIOLET-ABSORBING AND HEAT-REFLECTING GLASS MADE BY USING THE SAME Nippon Sheet Glass Co., Ltd. (JP) 1999-01-13 EP disclosed