SCHEMBL218806

SCHEMBL218806

[K]Cc1ccccc1

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
Hydrochloric Acid SCHEMBL28654151 0.97
Dimethylamine SCHEMBL8515687 0.88 KDM4E (0.50)
SCHEMBL25181504 0.88 CALM1 (0.43)
SCHEMBL25263956 0.88 CALM1 (0.43)
SCHEMBL31739253 0.88 CALM1 (0.43)
Alcohol SCHEMBL8976578 0.86 TSHR (0.50)
Malonic Acid SCHEMBL18812850 0.84 AKR1B1 (0.54)
SCHEMBL8467601 0.73
SCHEMBL2637978 0.71 ALDH1A1 (0.50)
SCHEMBL25965 0.71 ALDH1A1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025243002-A1 FLUORINATION PROCESS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2025-11-27 WO claimed
US-20240376024-A1 METHOD FOR PREPARING DEUTERATED CHEMICAL BY MEANS OF DEUTERATION REACTION OF CARBON-HYDROGEN BOND WITH DEUTERIUM GAS UNDER CATALYSIS OF ALKALI FUDAN UNIVERSITY (CN) 2024-11-14 US claimed
EP-4321499-A1 METHOD FOR PREPARING DEUTERATED CHEMICAL BY MEANS OF DEUTERATION REACTION OF CARBON-HYDROGEN BOND WITH DEUTERIUM GAS UNDER CATALYSIS OF ALKALI Fudan University (CN) 2024-02-14 EP claimed
CN-115536609-B Synthesis method of hydrogen isotope labeled vortioxetine 上海埃思凯特科技有限公司 2023-10-27 CN claimed
EP-4264641-A1 METHOD FOR PRODUCING AN ELECTRICALLY CONDUCTIVE CONDUCTOR STRAND HAVING AT LEAST ONE CARBON CONDUCTOR Robert Bosch GmbH (DE) 2023-10-25 EP claimed
CN-116569281-A Method for producing a conductive conductor bundle comprising at least one carbon conductor 罗伯特·博世有限公司 2023-08-08 CN claimed
CN-116082415-A Ferrocene amino bidentate phosphine ligand compound and preparation method and application thereof 中国海洋石油集团有限公司 2023-05-09 CN claimed
CN-115536609-A Synthesis method of vortioxetine labeled by hydrogen isotope 上海埃思凯特科技有限公司 2022-12-30 CN claimed
WO-2022214045-A1 METHOD FOR PREPARING DEUTERATED CHEMICAL BY MEANS OF DEUTERATION REACTION OF CARBON-HYDROGEN BOND WITH DEUTERIUM GAS UNDER CATALYSIS OF ALKALI 复旦大学 2022-10-13 WO claimed
US-11370665-B2 Method for producing activated carbon BEYONDER AS (NO) 2022-06-28 US claimed
CN-102510857-B method for producing 3-substituted-oxy-4-pyridazinol derivative MITSUI CHEMICALS AGRO INC 2015-05-13 CN claimed
US-8552182-B2 Method for producing a 3-(substituted-oxy)-4-pyridazinol derivative MITSUI CHEMICALS AGRO, INC. (JP) 2013-10-08 US claimed
US-20120184736-A1 METHOD FOR PRODUCING A 3-(SUBSTITUTED-OXY)-4-PYRIDAZINOL DERIVATIVE MITSUI CHEMICALS AGRO, INC (JP) 2012-07-19 US claimed
CN-102510857-A method for producing 3-substituted-oxy-4-pyridazinol derivative MITSUI CHEMICALS AGRO INC 2012-06-20 CN claimed
US-8088867-B2 Multiple catalyst system for olefin polymerization and polymers produced therefrom EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-01-03 US claimed
US-20060170118-A1 Production of benzyllithium, benzylsodium, and polyphenylene paradimethylene EVERETT CHRISTIAN 2006-08-03 US claimed
EP-1165232-A2 A NEW TRANSITION METAL COMPLEX, ITS PREPARATION AS WELL AS A CATALYST SYSTEM COMPRISING BASED THEREUPON AND ITS USE FOR THE POLYMERIZATION OF OLEFINS Borealis Technology Oy (FI) 2002-01-02 EP claimed
WO-2000050170-A2 A NEW TRANSITION METAL COMPLEX, ITS PREPARATION AS WELL AS A CATALYST SYSTEM BASED THEREUPON AND ITS USE FOR THE POLYMERIZATION OF OLEFINS BOREALIS TECHNOLOGY OY (FI) 2000-08-31 WO claimed
US-5811611-A Method for producing monoalkenyl benzene NIPPON OIL CO., LTD. (JP) 1998-09-22 US claimed
US-4029720-A Block or graft copolymers of polyalkylene oxides and vinylaromatic or diene polymers BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1977-06-14 US claimed