Octanal

Octanal

SCHEMBL11530619

CCCCCCCC=O.CCCCCCCC=O.OP(O)(O)=S.OP(O)(O)=S

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.73
FAAH O00519 2/20 0.64
TRPV1 Q8NER1 2/20 0.64
LPAR3 Q9UBY5 8/20 0.48
LPAR2 Q9HBW0 6/20 0.48
LPAR1 Q92633 1/20 0.48
FABP3 P05413 4/20 0.44
EPHX1 P07099 1/20 0.43
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43

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
Octanal SCHEMBL28613300 0.98 TSHR (0.70) TSHRFAAHTRPV1LPAR3LPAR2
Olealdehyde SCHEMBL28646977 0.94 FAAH (0.76) TSHRFAAHTRPV1LPAR3LPAR2
Olealdehyde SCHEMBL17866208 0.92 FAAH (0.73) TSHRFAAHTRPV1LPAR3LPAR2
Phosphoric Acid SCHEMBL29008919 0.88 TSHR (0.76) TSHRFAAHTRPV1LPAR3LPAR2
Phosphoric Acid SCHEMBL4529450 0.88 TSHR (0.76) TSHRFAAHTRPV1LPAR3LPAR2
Dodecanal SCHEMBL31152557 0.88 TSHR (0.76) TSHRFAAHTRPV1LPAR3LPAR2
Octanal SCHEMBL27493183 0.85 TSHR (0.89) TSHRFAAHTRPV1EPHX1ADH1B
Decanal SCHEMBL1872948 0.85 TSHR (1.00) TSHRFAAHTRPV1EPHX1ADH1B
Decanal SCHEMBL2540 0.85 TSHR (1.00) TSHRFAAHTRPV1EPHX1ADH1B
Decanal SCHEMBL7728978 0.85 TSHR (1.00) TSHRFAAHTRPV1EPHX1ADH1B

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
US-4148981-A Dithiophosphorylated copolymers of aziridineethyl acrylates or methacrylates and alkyl acrylates or methacrylates GULF RESEARCH & DEVELOPMENT COMPANY (US) 1979-04-10 US claimed
US-4136042-A EXTREME PRESSURE LUBRICANTS GULF RESEARCH & DEVELOPMENT COMPANY (US) 1979-01-23 US claimed
US-4148981-A Dithiophosphorylated copolymers of aziridineethyl acrylates or methacrylates and alkyl acrylates or methacrylates GULF RESEARCH & DEVELOPMENT COMPANY (US) 1979-04-10 US disclosed