SCHEMBL878822

SCHEMBL878822

O=CC1=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
SCHEMBL10964925 0.97
SCHEMBL10674545 0.90
Phenol SCHEMBL3675766 0.82 CA12 (0.41)
SCHEMBL2437428 0.77
SCHEMBL9918688 0.75
SCHEMBL17249470 0.75
SCHEMBL22769658 0.74
SCHEMBL878891 0.74 CYP2A6 (0.40)
SCHEMBL322429 0.74
SCHEMBL10774883 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116507599-B Production of 2, 4-tetramethyl cyclobutane-1, 3-diol from isobutanol using homogeneous catalyst 伊士曼化工公司 2026-05-19 CN claimed
CN-117599843-A Bimetallic molecular sieve and preparation method and application thereof 连云港高晶吕新材料有限公司 2024-02-27 CN claimed
CN-109503544-A The synthetic method of (2,2- difluoro benzo [d] [1,3] dioxo -5- base) methanol 阜新达得利化工股份有限公司 2019-03-22 CN claimed
CN-1008735-B Pyrrole ylmethyl-cyclopropyl-carbinol derivatives with replacement is a composition of active components BAYER AG (DE) 1990-07-11 CN claimed
CN-112198220-B Gas sensor and method of sensing a gas phase analyte 杜邦电子材料国际有限责任公司 2025-05-09 CN disclosed
CN-112198220-B Gas sensor and method of sensing a gas phase analyte 杜邦电子材料国际有限责任公司 2025-05-09 CN disclosed
US-12037342-B2 Substituted eneoxindoles and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-16 US disclosed
CN-110944629-B Enzyme-triggered carbon monoxide release molecules 乔治亚州立大学研究基金会股份有限公司 2024-04-09 CN disclosed
CN-117599843-A Bimetallic molecular sieve and preparation method and application thereof 连云港高晶吕新材料有限公司 2024-02-27 CN disclosed
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
WO-2023189217-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING CYCLIC OLEFIN COMPOSITION, AND FLUORINE-CONTAINING CYCLIC OLEFIN COMPOSITION 三井化学株式会社 2023-10-05 WO disclosed
US-11702398-B2 Photoresponsive low-molecular weight material, adhesive, toner, and image forming method Konica Minolta, Inc. (JP) 2023-07-18 US disclosed
CN-1958238-A Method of manufacturing resin bonding grinding wheel WUNORTON CO LTD (JP) 2007-05-09 CN disclosed
US-20060189825-A1 Ligands for estrogen related receptors and methods for synthesis of said ligands CITY OF HOPE 2006-08-24 US disclosed
CN-1244654-C Coating composition DU PONT (US) 2006-03-08 CN disclosed
CN-1008735-B Pyrrole ylmethyl-cyclopropyl-carbinol derivatives with replacement is a composition of active components BAYER AG (DE) 1990-07-11 CN disclosed
CN-1005378-B Composition comprising substituted azolylcyclopropyl-azolylmethyl-carbinol derivatives as active ingredient 拜尔公司 1989-10-11 CN disclosed
US-4622171-A Polyhydroindan carboxaldehydes and uses thereof in augmenting or enhancing the aromas of perfume compositions, colognes and perfumed articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-11-11 US disclosed
US-4438277-A Hydronaphthalene derivatives SANKYO COMPANY, LIMITED (JP) 1984-03-20 US disclosed
US-4361515-A Antihyperlipemic dihydro-ML-236B derivatives, their preparation and use SANKYO COMPANY, LIMITED (JP) 1982-11-30 US disclosed