SCHEMBL7782902

SCHEMBL7782902

C=C(C)C(O)CCC(C)C[C@H](O)C=C(C)C(O)CCC(C)CCO

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL344700 0.82 ALDH1A1 (0.43) ALDH1A1ALOX15
SCHEMBL7523399 0.82 ALDH1A1 (0.43) ALDH1A1ALOX15
SCHEMBL31556479 0.82 ALDH1A1 (0.43) ALDH1A1ALOX15
Phenol SCHEMBL29049932 0.77 TRPA1 (0.46) ALDH1A1ALOX15
SCHEMBL25406538 0.73 ALDH1A1 (0.47) ALDH1A1ALOX15
SCHEMBL28184624 0.68
SCHEMBL16168393 0.68
SCHEMBL8531998 0.65 HSD17B10 (0.32)
SCHEMBL27592456 0.65 TSHR (0.33) ALDH1A1ALOX15
SCHEMBL11584815 0.65 TSHR (0.35)

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-0761628-B1 Method for producing 3,7-dimethyl-5,7-octadiene-1-ol or rose oxide TAKASAGO PERFUMERY CO LTD (JP) 2001-11-14 EP disclosed
US-5672783-A Method for producing 3,7-dimethyl-5,7-octadiene-1-ol or rose oxide TAKASAGO INTERNATIONAL CORPORATION (JP) 1997-09-30 US disclosed
EP-0761628-A1 Method for producing 3,7-dimethyl-5,7-octadiene-1-ol or rose oxide Takasago International Corporation (JP) 1997-03-12 EP disclosed