SCHEMBL11211037

SCHEMBL11211037

C=C(C)C(CCC(C)CCO)OC

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL12726623 0.84 ALDH1A1 (0.39) ALDH1A1ALOX15
SCHEMBL11283105 0.81 ALDH1A1 (0.37) ALDH1A1ALOX15
SCHEMBL7523399 0.72 ALDH1A1 (0.43) ALDH1A1ALOX15
SCHEMBL31556479 0.72 ALDH1A1 (0.43) ALDH1A1ALOX15
SCHEMBL344700 0.72 ALDH1A1 (0.43) ALDH1A1ALOX15
SCHEMBL11059751 0.72 ALDH1A1 (0.55) ALDH1A1ALOX15
SCHEMBL28762 0.69
SCHEMBL1576259 0.69
SCHEMBL11802439 0.68 ALDH1A1 (0.43) ALDH1A1ALOX15
SCHEMBL14280938 0.68 ALDH1A1 (0.46) ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0021769-B1 PROCESSES FOR PRODUCING 2,6-DIMETHYL-3-ALKOXY-OCT-1-EN-8-OL, DEHYDROCITRONELLOL AND 2-(2'-METHYL-1'-PROPENYL)-4-METHYLTETRAHYDROPYRAN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-03-09 EP disclosed
US-4340544-A FROM CITRONELLOC IN THE PRESENCE OF AN ALKALI METAL ARYL SULFONATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-07-20 US disclosed
US-4312717-A ANODIC ALKOXYLATION OF CITRONELLOL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-01-26 US disclosed
EP-0021769-A1 Processes for producing 2,6-dimethyl-3-alkoxy-oct-1-en-8-ol, dehydrocitronellol and 2-(2'-methyl-1'-propenyl)-4-Methyltetrahydropyran SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-01-07 EP disclosed