SCHEMBL618507

SCHEMBL618507

C=C(C)CC(O)CC

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
SCHEMBL8060370 0.87 TSHR (0.30)
SCHEMBL11650478 0.84 HSD17B10 (0.39)
SCHEMBL9257876 0.78
SCHEMBL15223405 0.77
SCHEMBL22443266 0.77
SCHEMBL10314768 0.77
SCHEMBL10314771 0.77
SCHEMBL23287922 0.74
SCHEMBL16693297 0.74
SCHEMBL10204684 0.74 SLC22A16 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900200-B9 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT INC (US) 2009-10-21 EP claimed
EP-0900200-B1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT INC (US) 2008-12-03 EP claimed
US-6979695-B2 Compounds capable of activating cholinergic receptors TARGACEPT, INC. (US) 2005-12-27 US claimed
EP-1086082-B9 ARYLSUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS TARGACEPT INC (US) 2005-03-02 EP claimed
EP-1086082-B1 ARYLSUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS TARGACEPT INC (US) 2004-08-18 EP claimed
US-20030125345-A1 Nicotinic compounds; treating central nervous system disorders TARGACEPT, INC. 2003-07-03 US claimed
US-20250340502-A1 PURIFICATION OF AN ETHYLENICALLY UNSATURATED ALCOHOL STREAM, PREPARATION OF AN ETHYLENICALLY UNSATURATED ALDEHYDE, IN PARTICULAR PRENAL, AND COMPOUNDS DERIVED THEREFROM BASF SE (DE) 2025-11-06 US disclosed
CN-119278192-A Purification of ethylenically unsaturated alcohol streams, preparation of ethylenically unsaturated aldehydes, in particular pentenals, and compounds derived therefrom 巴斯夫欧洲公司 2025-01-07 CN disclosed
WO-2019165783-A1 METHOD FOR CONTINUOUSLY PREPARING 2-METHYLALLYL PROPANATE ALCOHOL SOLUTION 浙江大学 2019-09-06 WO disclosed
EP-2725422-B1 PHOTOSENSITIVE COMPOSITION, MASTER PLATE FOR PLANOGRAPHIC PRINTING PLATE AND POLYURETHANE FUJIFILM CORP (JP) 2017-10-04 EP disclosed
US-20150313883-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT INC (US) 2015-11-05 US disclosed
EP-2257514-B1 METHOD FOR PRODUCING OLEFINICALLY SATURATED CARBONYL COMPOUNDS BY OXIDATIVE DEHYDROGENATION OF ALCOHOLS BASF SE (DE) 2015-10-28 EP disclosed
US-9107915-B2 Hydroxybenzoate salts of metanicotine compounds TARGACEPT, INC. (US) 2015-08-18 US disclosed
WO-1999065876-A1 ARYL SUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-12-23 WO disclosed
WO-1999043322-A1 METHOD FOR THE TREATMENT OF PAIN, INCLUDING CHRONIC AND FEMALE SPECIFIC PAIN WAKE FOREST UNIVERSITY (US) 1999-09-02 WO disclosed
EP-0900200-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-03-10 EP disclosed
WO-1997040011-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R. J. REYNOLDS TOBACCO COMPANY (US) 1997-10-30 WO disclosed
US-5616716-A (3-(5-ethoxypyridin)yl)-alkenyl 1 amine compounds TARGACEPT, INC. 1997-04-01 US disclosed
US-4883913-A BUT-3-EN-1-OL COMPOUNDS, MIXTURES OF CATALYSTS AND BLOWING AGENTS FOR POLYURETHANES KALI-CHEMIE AKTIENGESELLSCHAFT (DE) 1989-11-28 US disclosed
US-4111917-A POLYURETHANES W. R. GRACE & CO. (US) 1978-09-05 US disclosed