SCHEMBL9449773

SCHEMBL9449773

O=C1C=CC2(CCCCCCC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
ALOX5 P09917 1/20 0.31

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
SCHEMBL515788 1.00 ALDH1A1 (0.34) ALDH1A1ALOX5
SCHEMBL1373549 1.00 ALDH1A1 (0.34) ALDH1A1ALOX5
SCHEMBL516008 0.98 ALDH1A1 (0.36) ALDH1A1ALOX5
SCHEMBL13333805 0.93 ALDH1A1 (0.36) ALDH1A1ALOX5
SCHEMBL9140299 0.88
SCHEMBL2435959 0.79 POLB (0.32)
SCHEMBL17277743 0.78 NEK2 (0.31)
SCHEMBL3728133 0.78
SCHEMBL4409815 0.77 ALDH1A1 (0.34) ALDH1A1ALOX5
SCHEMBL11956609 0.76 ALOX5 (0.30) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5151410-A Spiro 5.7!tridec-1-ene-3-one perfumes FIRMENICH S.A. (CH) 1992-09-29 US claimed
EP-0504563-A1 Perfuming ingredient with a spiranic structure FIRMENICH SA (CH) 1992-09-23 EP claimed
JP-5070792-A None JP disclosed
JP-H0570792-A PERFUME COMPOSITION AND METHOD FOR IMPARTING, IMPROVING ENHANCING, OR MODIFYING ODOR NOTES FOR PERFUMED ARTICLE PERFUME COMPOSITION, AND PERFUMED ARTICLE FIRMENICH SA 1993-03-23 JP disclosed
US-5151410-A Spiro 5.7!tridec-1-ene-3-one perfumes FIRMENICH S.A. (CH) 1992-09-29 US disclosed
US-5151410-A Spiro 5.7!tridec-1-ene-3-one perfumes FIRMENICH S.A. (CH) 1992-09-29 US disclosed
EP-0504563-A1 Perfuming ingredient with a spiranic structure FIRMENICH SA (CH) 1992-09-23 EP disclosed
EP-0504563-A1 Perfuming ingredient with a spiranic structure FIRMENICH SA (CH) 1992-09-23 EP disclosed