Octanoic Acid

Octanoic Acid

SCHEMBL28145198

CCC(O)[N+](C)(C)C.CCCCCCCC(=O)[O-]

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 7/20 0.53
NFKB1 P19838 1/20 0.51
CA1 P00915 1/20 0.50
GPR84 Q9NQS5 1/20 0.50

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 SCHEMBL28726825 1.00 FABP3 (0.53) FABP3NFKB1CA1GPR84
Decanoic Acid SCHEMBL28726821 0.85 FABP3 (0.56) FABP3NFKB1CA1GPR84
Decanoic Acid SCHEMBL28213249 0.84 GPR84 (0.63) FABP3GPR84
Stearic Acid SCHEMBL109193 0.82 FABP3 (0.67) FABP3CA1
Myristic Acid SCHEMBL5154017 0.82 FABP3 (0.67) FABP3CA1
Octanoic Acid SCHEMBL108744 0.82 FABP3 (0.67) FABP3CA1
Heptadecanoic Acid SCHEMBL7549840 0.82 FABP3 (0.67) FABP3CA1
Dodecanoate SCHEMBL5153809 0.82 FABP3 (0.67) FABP3CA1
Nonanoate SCHEMBL106670 0.82 FABP3 (0.67) FABP3CA1
Palmitic Acid SCHEMBL5155811 0.82 FABP3 (0.67) FABP3CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113265037-B Polyisocyanate composition and preparation method and application thereof 万华化学(宁波)有限公司 2023-03-24 CN claimed
CN-113265037-B Polyisocyanate composition and preparation method and application thereof 万华化学(宁波)有限公司 2023-03-24 CN disclosed
CN-112225857-B Isocyanurate-containing polyisocyanate composition with stable chromaticity and preparation method thereof 万华化学集团股份有限公司 2022-07-12 CN disclosed
CN-113698572-A Polyisocyanate composition, preparation method and application 万华化学(宁波)有限公司 2021-11-26 CN disclosed
CN-113265037-A Polyisocyanate composition and preparation method and application thereof 万华化学(宁波)有限公司 2021-08-17 CN disclosed
CN-112225857-A Isocyanurate-containing polyisocyanate composition with stable chromaticity and preparation method thereof 万华化学集团股份有限公司 2021-01-15 CN disclosed
CN-104640892-B Intermediary material containing poly-isocyanurate 亨茨曼国际有限公司 2017-07-25 CN disclosed