Heptanal

Heptanal

SCHEMBL10533943

CCCCCCC=O.O=CCCCCC=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 1.00
FAAH O00519 2/20 0.84
TRPV1 Q8NER1 2/20 0.84
ALDH1A1 P00352 2/20 0.56
EPHX1 P07099 1/20 0.55
ADH1B P00325 1/20 0.55
ADH1C P00326 1/20 0.55
ADH1A P07327 1/20 0.55
ADH4 P08319 1/20 0.55
ADH7 P40394 1/20 0.55
HIF1A Q16665 1/20 0.53
THRB P10828 1/20 0.50
EP300 Q09472 1/20 0.46
DNM1 Q05193 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
Tridecanal SCHEMBL38928 1.00 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
SCHEMBL4879845 1.00 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
SCHEMBL9234870 1.00 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
Decanal SCHEMBL2540 1.00 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
Undecanal SCHEMBL22333 1.00 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
Undecanal SCHEMBL2684955 1.00 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
SCHEMBL120789 1.00 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
Decanal SCHEMBL7728978 1.00 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
Decanal SCHEMBL1872948 1.00 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
Tetradecanal SCHEMBL18604 1.00 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1

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-0311619-A1 CHELATE LIGANDS FOR LOW PRESSURE HYDROFORMYLATION CATALYST AND PROCESS EMPLOYING SAME. EASTMAN KODAK CO (US) 1989-04-19 EP disclosed
US-4755624-A Low pressure hydroformylation process EASTMAN KODAK COMPANY (US) 1988-07-05 US disclosed
WO-1987007600-A2 CHELATE LIGANDS FOR LOW PRESSURE HYDROFORMYLATION CATALYST AND PROCESS EMPLOYING SAME EASTMAN KODAK COMPANY (US) 1987-12-17 WO disclosed