Octanal

Octanal

SCHEMBL2453523

CCCCCCCC=O.OCCO

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.80
FAAH O00519 2/20 0.70
TRPV1 Q8NER1 2/20 0.70
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
EPHX1 P07099 1/20 0.46
ADH1B P00325 1/20 0.46
ADH1C P00326 1/20 0.46
ADH1A P07327 1/20 0.46
ADH4 P08319 1/20 0.46
ADH7 P40394 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EP300 Q09472 1/20 0.45

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
Palmitaldehyde SCHEMBL6162415 1.00 TSHR (0.80) TSHRFAAHTRPV1LMNAALDH1A1
Heptanal SCHEMBL2454694 1.00 TSHR (0.80) TSHRFAAHTRPV1LMNAALDH1A1
Tridecanal SCHEMBL9083185 1.00 TSHR (0.80) TSHRFAAHTRPV1LMNAALDH1A1
Hexanal SCHEMBL2449154 0.97 TSHR (0.75) TSHRFAAHTRPV1LMNAALDH1A1
Dodecanol SCHEMBL8387775 0.93 TSHR (0.76) TSHRFAAHTRPV1LMNAALDH1A1
Hexanal SCHEMBL5504335 0.93 TSHR (0.76) TSHRFAAHTRPV1LMNAALDH1A1
Hexanal SCHEMBL2635617 0.93 TSHR (0.76) TSHRFAAHTRPV1LMNAALDH1A1
Hexanal SCHEMBL28743151 0.93 TSHR (0.76) TSHRFAAHTRPV1LMNAALDH1A1
Octanal SCHEMBL6061355 0.93 TSHR (0.76) TSHRFAAHTRPV1LMNAALDH1A1
Heptanal SCHEMBL2635440 0.93 TSHR (0.76) TSHRFAAHTRPV1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4421689-A Derivatives of 1,5-dimethylbicyclo [3,2,1] octane, the preparation of these compounds and their use as perfume compound SHELL ITERNATIONAL RESEARCH MAATSCHAPPIJ B.V., THE NETHERLANDS A COMPANY OF THE NETHERLANDS (NL) 1983-12-20 US claimed
US-20230038633-A1 DIALIPHATIC KETONE MIXTURES, COMPOSITIONS COMPRISING SAME AND USE THEREOF SOLVAY SA (BE) 2023-02-09 US disclosed
CN-114845686-A Mixtures of dialiphatic ketones, compositions comprising the same and uses thereof 索尔维公司 2022-08-02 CN disclosed
WO-2021122005-A1 DIALIPHATIC KETONE MIXTURES, COMPOSITIONS COMPRISING SAME AND USE THEREOF SOLVAY SA (BE) 2021-06-24 WO disclosed
EP-3837982-A1 WAX DISPERSIONS SUITABLE FOR THE COATING OF FOOD PRODUCTS COMPRISING KETONES WITH A MELTING POINT ABOVE 40°C Solvay SA (BE) 2021-06-23 EP disclosed
EP-2550332-B1 POLYMER COMPOSITIONS COMPRISING SEMI-AROMATIC POLYAMIDES AND GRAPHENE MATERIALS SOLVAY (BE) 2018-05-16 EP disclosed
US-9139732-B2 Polymer compositions comprising semi-aromatic polyamides and graphene materials SOLVAY SA (BE) 2015-09-22 US disclosed
EP-2889928-A1 Improved photoactive compositions Solvay SA (BE) 2015-07-01 EP disclosed
US-20130072613-A1 Polymer compositions comprising semi-aromatic polyamides and graphene materials SOLVAY SA (BE) 2013-03-21 US disclosed
EP-2550332-A2 POLYMER COMPOSITIONS COMPRISING SEMI-AROMATIC POLYAMIDES AND GRAPHENE MATERIALS Solvay SA (BE) 2013-01-30 EP disclosed
EP-2550333-A2 POLYAMIDE COMPOSITIONS COMPRISING A SUBSTANCE COMPRISING ALKYLENE OXIDE MOIETIES Solvay SA (BE) 2013-01-30 EP disclosed
US-20130018136-A1 Polyamide compositions comprising a substance comprising alkylene oxide moieties SOLVAY SA (BE) 2013-01-17 US disclosed
WO-2011117326-A2 POLYAMIDE COMPOSITIONS COMPRISING A SUBSTANCE COMPRISING ALKYLENE OXIDE MOIETIES SOLVAY SA (BE) 2011-09-29 WO disclosed
WO-2011117325-A2 POLYMER COMPOSITIONS COMPRISING SEMI-AROMATIC POLYAMIDES AND GRAPHENE MATERIALS SOLVAY SA (BE) 2011-09-29 WO disclosed
US-5130413-A Forming a metal salt of the polyoxyalkylene oxide by reaction with alkali metal alkoxide and reaction with a halogen unsaturated compound KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-07-14 US disclosed
EP-0415404-A2 Process for producing unsaturated group-terminated high-molecular weight polyalkylene oxide KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-03-06 EP disclosed
US-4421689-A Derivatives of 1,5-dimethylbicyclo [3,2,1] octane, the preparation of these compounds and their use as perfume compound SHELL ITERNATIONAL RESEARCH MAATSCHAPPIJ B.V., THE NETHERLANDS A COMPANY OF THE NETHERLANDS (NL) 1983-12-20 US disclosed