SCHEMBL3165667

SCHEMBL3165667

C=CC(C)(CCC=C(C)C)OC(OCC)(OCC)OC(C)(C=C)CCC=C(C)C

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.47
HIF1A Q16665 4/20 0.40
EPAS1 Q99814 4/20 0.40
TSHR P16473 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
SCHEMBL8374951 0.88 ALOX15 (0.55) ALOX15HIF1AEPAS1TSHR
SCHEMBL164899 0.86 ALOX15 (0.53) ALOX15HIF1AEPAS1TSHR
SCHEMBL988359 0.84 ALOX15 (0.59) ALOX15HIF1AEPAS1TSHR
SCHEMBL8375220 0.83 ALOX15 (0.50) ALOX15HIF1AEPAS1TSHR
SCHEMBL29051041 0.78 ALOX15 (0.60) ALOX15HIF1AEPAS1
Acetic Acid SCHEMBL28299360 0.78 ALOX15 (0.52) ALOX15HIF1AEPAS1TSHR
SCHEMBL10524674 0.78 ALOX15 (0.52) ALOX15HIF1AEPAS1TSHR
SCHEMBL9745211 0.77 ALOX15 (0.50) ALOX15HIF1AEPAS1TSHR
SCHEMBL6870661 0.76 ALOX15 (0.46) ALOX15HIF1AEPAS1TSHR
SCHEMBL28452346 0.76 ALOX15 (0.53) ALOX15HIF1AEPAS1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185239-B1 PRO-FRAGRANCES PROCTER & GAMBLE (US) 2010-03-10 EP claimed
EP-1171566-B1 PRO-FRAGRANCES PROCTER & GAMBLE (US) 2004-12-22 EP claimed
US-6551987-B1 For delivering fragrance raw material ketones, preferably alpha , beta -unsaturated ketones, inter alia, damascones, ionones to human skins THE PROCTER & GAMBLE COMPANY 2003-04-22 US claimed
US-6551987-B1 For delivering fragrance raw material ketones, preferably alpha , beta -unsaturated ketones, inter alia, damascones, ionones to human skins THE PROCTER & GAMBLE COMPANY 2003-04-22 US disclosed
US-5919752-A ORTHOESTERS, KETALS, ACETALS, ORTHOCARBONATES WHICH RELEASE TWO OR MORE FRAGRANCE RAW MATERIALS UPON HYDROLYSIS. PROCTER & GAMBLE (US) 1999-07-06 US disclosed