SCHEMBL2230198

SCHEMBL2230198

CC(C)[C]1C=CC=CC1

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
SCHEMBL1070545 0.75 TSHR (0.34)
SCHEMBL11568784 0.67
SCHEMBL31229306 0.65 CA1 (0.30)
SCHEMBL5316732 0.65
SCHEMBL3909589 0.63
SCHEMBL11705778 0.62
SCHEMBL1071593 0.62
SCHEMBL1480969 0.61
SCHEMBL283495 0.61
SCHEMBL14035432 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0136772-B1 IMPREGNATING OIL FOR USE AS THE DIELECTRIC MEDIUM OF CAPACITORS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-08-10 EP claimed
EP-0056177-B1 PRESSURE SENSITIVE RECORDING MATERIALS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-04-10 EP claimed
WO-2023137133-A2 PROCESS FOR THE SELECTIVE CATALYTIC HYDROGENATION OF DIENONES BASF SE (DE) 2023-07-20 WO disclosed
US-RE49036-E1 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2022-04-19 US disclosed
CN-107250091-B Method for synthesizing optically active carbonyl compound 巴斯夫欧洲公司 2021-05-04 CN disclosed
US-10301244-B2 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2019-05-28 US disclosed
US-20180244598-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2018-08-30 US disclosed
US-9975837-B2 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2018-05-22 US disclosed
US-20180057437-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2018-03-01 US disclosed
US-9469662-B2 Process for preparing optically active biophosphinylalkanes BASF SE (DE) 2016-10-18 US disclosed
US-7973198-B2 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2011-07-05 US disclosed
US-20100152494-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2010-06-17 US disclosed
US-7534921-B2 Method for the production of optically active carbonyl BASF AKTIENGESELLSCHAFT (DE) 2009-05-19 US disclosed
US-20080269528-A1 Method for the Production of Optically Active Carbonyl BASF AKTIENGESELLSCHAFT (DE) 2008-10-30 US disclosed
US-20080242893-A1 Process for Preparing Optically Active Diphosphanes BASF AKTIENGESELLSCHAFT (DE) 2008-10-02 US disclosed
EP-1765495-A2 OLIGOMERISATION IN THE PRESENCE OF BOTH A TETRAMERISATION CATALYST AND A FURTHER OLIGOMERISATION CATALYST Sasol Technology (Pty) Ltd (ZA) 2007-03-28 EP disclosed
WO-2005123884-A2 OLIGOMERISATION IN THE PRESENCE OF BOTH A TETRAMERISATION CATALYST AND A FURTHER OLIGOMERISATION CATALYST SASOL TECHNOLOGY (PTY) LIMITED (ZA) 2005-12-29 WO disclosed
EP-0136772-B1 IMPREGNATING OIL FOR USE AS THE DIELECTRIC MEDIUM OF CAPACITORS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-08-10 EP disclosed
EP-0056177-B1 PRESSURE SENSITIVE RECORDING MATERIALS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-04-10 EP disclosed
US-4288452-A 1-Aryloxy-3-nitratoalkylamino-2-propanols and use as β-receptor blocker MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-09-08 US disclosed