SCHEMBL5250933

SCHEMBL5250933

CC(C)C(=O)CCl

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
SCHEMBL1827515 0.78
SCHEMBL11000641 0.78
SCHEMBL1827512 0.78
SCHEMBL7362688 0.75
SCHEMBL397456 0.75
SCHEMBL7362692 0.75
SCHEMBL9226139 0.75
SCHEMBL18099936 0.75
Methylene Chloride SCHEMBL28623150 0.73 TRPA1 (0.38)
SCHEMBL628752 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed
EP-0912467-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1999-05-06 EP claimed
WO-1998000375-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1998-01-08 WO claimed
EP-0323625-B1 Process for preparing 3-[2-chloro-2(4-chlorophenyl)-vinyl]-2,2-dimethyl-cyclopropane carboxylic acid BAYER AG (DE) 1992-09-09 EP claimed
US-4897505-A Process for the preparation of 3-(2-chloro-2-(4-chloro-phenyl)-vinyl)-2,2-dimethylcyclopropanecarboxylic acid BAYER AKTIENGESELLSCHAFT (DE) 1990-01-30 US claimed
EP-0323625-A2 Process for preparing 3-[2-chloro-2(4-chlorophenyl)-vinyl]-2,2-dimethyl-cyclopropane carboxylic acid BAYER AG (DE) 1989-07-12 EP claimed
JP-1203350-A None JP disclosed
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-12018002-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2024-06-25 US disclosed
US-11912714-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-27 US disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230364121-A1 NIRAN INTERFERING DRUGS FOR SARS-COV-2 MUTANT THERAPY Atea Pharmaceuticals, Inc. (US) 2023-11-16 US disclosed
EP-0055427-B1 PROCESS FOR THE PRODUCTION OF MONOCHLOROMETHYL KETONES BAYER AG (DE) 1984-05-02 EP disclosed
EP-0055427-A1 Process for the production of monochloromethyl ketones BAYER AG (DE) 1982-07-07 EP disclosed
US-4275200-A CONDENSATION OF CARBAMIC ESTERS WITH X-HALOGEN CARBONYL COMPOUNDS AGFA-GEVAERT, A.G. (DE) 1981-06-23 US disclosed
US-4240983-A HALOGENATION BAYER AKTIENGESELLSCHAFT (DE) 1980-12-23 US disclosed
US-4164579-A ANTI-ULCER AGENTS RHONE-POULENC INDUSTRIES (FR) 1979-08-14 US disclosed
US-4064244-A ANOREXIGENIC AGENTS, ANTIMIGRAINE AGENTS SANDOZ LTD. (CH) 1977-12-20 US disclosed
US-4059447-A Photographic material containing oxazolinone-2 couplers AGFA-GEVAERT AKTIENGESELLSCHAFT (DT) 1977-11-22 US disclosed