SCHEMBL4452414

SCHEMBL4452414

CC(=O)C(C)/C=C/C1CC=C(C)C1(C)C

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL4452417 1.00
SCHEMBL7455130 1.00
SCHEMBL32668820 1.00
SCHEMBL7461470 1.00
SCHEMBL6557564 0.79
SCHEMBL10723647 0.78
SCHEMBL10724376 0.78
SCHEMBL10724379 0.78
SCHEMBL7458397 0.78
SCHEMBL180489 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464235-B1 PROCESS FOR THE PREPARATION OF POLYSANTOL-TYPE COMPOUNDS FIRMENICH & CIE (CH) 2021-09-15 EP claimed
US-10807941-B2 Process for the preparation of polysantol-type compounds FIRMENICH SA (CH) 2020-10-20 US claimed
US-20190292127-A1 PROCESS FOR THE PREPARATION OF POLYSANTOL-TYPE COMPOUNDS FIRMENICH SA (CH) 2019-09-26 US claimed
EP-0203528-B1 CYCLOPENTENE DERIVATIVES AND THEIR USE AS ODORANTS L. GIVAUDAN &amp; CIE Société Anonyme (CH) 1990-08-01 EP claimed
EP-0203528-A2 Cyclopentene derivatives and their use as odorants L. GIVAUDAN &amp; CIE Société Anonyme (CH) 1986-12-03 EP claimed
EP-3464235-B1 PROCESS FOR THE PREPARATION OF POLYSANTOL-TYPE COMPOUNDS FIRMENICH & CIE (CH) 2021-09-15 EP disclosed
US-10807941-B2 Process for the preparation of polysantol-type compounds FIRMENICH SA (CH) 2020-10-20 US disclosed
US-20190292127-A1 PROCESS FOR THE PREPARATION OF POLYSANTOL-TYPE COMPOUNDS FIRMENICH SA (CH) 2019-09-26 US disclosed
EP-2094634-A2 PROCESS FOR MAKING INTERMEDIATES FOR FRAGRANCE COMPONENTS FROM -CAMPHOLENIC ALDEHYDE Millennium Specialty Chemicals, Inc. (US) 2009-09-02 EP disclosed
WO-2008066602-A2 PROCESS FOR MAKING INTERMEDIATES FOR FRAGRANCE COMPONENTS FROM α-CAMPHOLENIC ALDEHYDE MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2008-06-05 WO disclosed
WO-2008066602-A2 PROCESS FOR MAKING INTERMEDIATES FOR FRAGRANCE COMPONENTS FROM α-CAMPHOLENIC ALDEHYDE MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2008-06-05 WO disclosed
US-7262329-B1 reacting 2-(2,2,3-trimethyl-1-cyclopent-3-enyl)acetaldehyde with methyl ethyl ketone in the presence of aqueous alkali or alkaline earth metal hydroxide solutions, to form mixtures comprising a ketol and ketone; stereospecific aldol condensation; two-step; efficiency MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2007-08-28 US disclosed
US-7262329-B1 reacting 2-(2,2,3-trimethyl-1-cyclopent-3-enyl)acetaldehyde with methyl ethyl ketone in the presence of aqueous alkali or alkaline earth metal hydroxide solutions, to form mixtures comprising a ketol and ketone; stereospecific aldol condensation; two-step; efficiency MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2007-08-28 US disclosed
US-7262329-B1 reacting 2-(2,2,3-trimethyl-1-cyclopent-3-enyl)acetaldehyde with methyl ethyl ketone in the presence of aqueous alkali or alkaline earth metal hydroxide solutions, to form mixtures comprising a ketol and ketone; stereospecific aldol condensation; two-step; efficiency MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2007-08-28 US disclosed
EP-0841318-B1 Optical isomers of derivatives of campholenic aldehyde GIVAUDAN SA (CH) 2002-11-27 EP disclosed
EP-0841318-A2 Optical isomers of derivatives of campholenic aldehyde GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-05-13 EP disclosed
EP-0203528-B1 CYCLOPENTENE DERIVATIVES AND THEIR USE AS ODORANTS L. GIVAUDAN &amp; CIE Société Anonyme (CH) 1990-08-01 EP disclosed
US-4696766-A FRAGRANCES GIVAUDAN CORPORATION (US) 1987-09-29 US disclosed
EP-0203528-A2 Cyclopentene derivatives and their use as odorants L. GIVAUDAN &amp; CIE Société Anonyme (CH) 1986-12-03 EP disclosed