SCHEMBL3874313

SCHEMBL3874313

CC1=CC[C@@H](C/C=C(\C)CO)C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CNR2 P34972 2/20 0.33
TRPA1 O75762 1/20 0.30
PNLIP P16233 1/20 0.30

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
SCHEMBL232038 1.00 USP2 (0.35) USP2NPSR1CNR2TRPA1PNLIP
SCHEMBL232037 1.00 USP2 (0.35) USP2NPSR1CNR2TRPA1PNLIP
SCHEMBL3874314 1.00 USP2 (0.35) USP2NPSR1CNR2TRPA1PNLIP
SCHEMBL3882705 1.00 USP2 (0.35) USP2NPSR1CNR2TRPA1PNLIP
SCHEMBL3882702 1.00 USP2 (0.35) USP2NPSR1CNR2TRPA1PNLIP
Butanone SCHEMBL4312719 0.92 USP2 (0.32) USP2NPSR1
SCHEMBL17294096 0.87 USP2 (0.35) USP2NPSR1
SCHEMBL1865823 0.87 USP2 (0.35) USP2NPSR1
SCHEMBL16053164 0.85 USP2 (0.38) USP2NPSR1
SCHEMBL3625807 0.85 USP2 (0.38) USP2NPSR1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802513-A1 FRAGRANCE MATERIALS Takasago International Corporation (JP) 2021-04-14 EP disclosed
EP-3776570-A1 FRAGRANCE COMPOSITIONS AND USE THEREOF FOR IMPROVING SLEEP Takasago International Corporation (JP) 2021-02-17 EP disclosed
EP-3649183-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP disclosed
WO-2019173776-A1 FRAGRANCE AND FLAVOR MATERIALS DERIVED FROM 1-(4-METHYLCYCLOHEX-1-EN-1-YL)ETHAN-1-ONE TAKASAGO INTERNATIONAL CORPORATION (USA) (US) 2019-09-12 WO disclosed
WO-2019173772-A1 FRAGRANCE AND FLAVOR MATERIALS FROM 1-(2-HYDROXY-4-METHYLCYCLOHEXYL)-ETHANONE TAKASAGO INTERNATIONAL CORPORATION (USA) (US) 2019-09-12 WO disclosed
WO-2019010263-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO disclosed
US-7537933-B2 Method for determining the enantiomer ratio trimethylcyclopentene derivatives KAO CORPORATION (JP) 2009-05-26 US disclosed
EP-0829463-B2 Process for preparing an (E)-(R)-2-alkyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)-2-buten-1-ol TAKASAGO PERFUMERY CO LTD (JP) 2008-11-05 EP disclosed
EP-0829463-B2 Process for preparing an (E)-(R)-2-alkyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)-2-buten-1-ol TAKASAGO PERFUMERY CO LTD (JP) 2008-11-05 EP disclosed
EP-1427684-B1 METHOD FOR DETERMINING THE ENANTIOMER RATIO TRIMETHYLCYCLOPENTENE DERIVATIVES KAO CORP (JP) 2006-05-31 EP disclosed
EP-0801049-B1 Cyclopentanebutanol derivatives as odorants GIVAUDAN SA (CH) 2001-11-21 EP disclosed
US-6284929-B1 CYCLIC UNSATURATED ALDEHYDES OR KETONES FOR ODORS GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-09-04 US disclosed
US-6239314-B1 ORGANOLEPTIC COMPOUND GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-05-29 US disclosed
US-6235943-B1 CYCLIC UNSATURATED ALDEHYDES OR KETONES GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-05-22 US disclosed
US-6162954-A Odorants GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2000-12-19 US disclosed
US-6084138-A CATALYST SELECTIVE AND STEREOSPECIFIC REDUCTION OF CORRESPONDING ALDEHYDE IN THE PRESENCE OF A RUTHENIUM-PHOSPHINE COMPLEX CATALYST, AN ALKALI OR ALKALINE EARTH METAL BASE AND AN AMINE TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-07-04 US disclosed
US-5994291-A (E)-(R)-2-alkyl-4-(2,2,3,-Trimethylcyclopent-3-en-1-yl)-2-buten-1-ol, process for preparing the same, and use thereof TAKASAGO INTERNATIONAL COPORATION (JP) 1999-11-30 US disclosed
US-5929291-A SYNTHETIC PERFUME GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 1999-07-27 US disclosed
EP-0829463-A2 (E)-(R)-2-Alkyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)-2-buten-1-ol, process for preparing the same, and use thereof in perfume compositions Takasago International Corporation (JP) 1998-03-18 EP disclosed
EP-0801049-A2 Cyclopentanebutanol derivatives as odorants GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1997-10-15 EP disclosed