SCHEMBL2180984

SCHEMBL2180984

CSC(C)C(C)=O

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
SCHEMBL6129980 0.76 ALDH1A1 (0.33)
SCHEMBL6130000 0.76 TSHR (0.33)
SCHEMBL990356 0.73
SCHEMBL5181293 0.73
SCHEMBL8688833 0.73
SCHEMBL8691719 0.73
SCHEMBL8759001 0.72
SCHEMBL25385810 0.71 ALDH1A1 (0.30)
SCHEMBL12018888 0.71
Hydrochloric Acid SCHEMBL8691278 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009156621-A1 ABSORBENT SOLUTION CONTAINING A DEGRADATION SULPHUR-CONTAINING INHIBITOR HAVING A CARBOXYL GROUP AND METHOD FOR LIMITING THE DEGRADATION OF AN ABSORBENT SOLUTION IFP (FR) 2009-12-30 WO claimed
CN-118206533-A N-pyridazine pyrazole amide compounds 湖南化工研究院有限公司 2024-06-18 CN disclosed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 US disclosed
US-11758933-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2023-09-19 US disclosed
EP-3368542-B1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2022-06-22 EP disclosed
US-11357246-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2022-06-14 US disclosed
US-20210227863-A1 HIGH INTENSITY SWEETENERS SENOMYX, INC. 2021-07-29 US disclosed
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed
EP-3356356-B1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED (US) 2021-05-26 EP disclosed
EP-3533436-B1 COMPOSITIONS COMPRISING MENTHOL, ISOBORNYL BUTYRATE AND APRITONE PROCTER & GAMBLE (US) 2020-12-23 EP disclosed
EP-1020444-A1 6-PHENOXYPICOLINIC ACID, ALKYLIDENEHYDRAZIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND HERBICIDE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-07-19 EP disclosed
US-4918231-A REACTING A SILYLATED CYANOHYDRIN WITH GRIGNARD REAGENT; TREATING WITH REDUCING AGENT; HYDROLYSIS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-04-17 US disclosed
EP-0170517-B1 PROCESS FOR THE PRODUCTION OF 1,2-AMINO ALCOHOLS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-12-27 EP disclosed
EP-0170517-A2 Process for the production of 1,2-amino alcohols MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-02-05 EP disclosed
US-4155933-A Process for halogenation of aldehydes and production of oximes therefrom ALLIED CHEMICAL CORPORATION (US) 1979-05-22 US disclosed
US-4101583-A Alpha-methylthio-alpha-(2-aminophenyl) acetaldehyde diloweralkyl acetals THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1978-07-18 US disclosed
US-4096187-A Process for halogenation of aldehydes and production of oximes therefrom ALLIED CHEMICAL CORPORATION (US) 1978-06-20 US disclosed
US-4080341-A Carbazolenine and indole compounds THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1978-03-21 US disclosed
US-4067875-A Certain N-phenyl or N-pyridyl aza sulfonium salts THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1978-01-10 US disclosed
US-3992392-A Synthesis of indoles from anilines and intermediates therein THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1976-11-16 US disclosed