SCHEMBL4091525

SCHEMBL4091525

C[C@@H](CCl)CBr

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
SCHEMBL4091521 1.00
SCHEMBL606834 1.00
SCHEMBL13283555 0.84
SCHEMBL7624777 0.84
SCHEMBL2126231 0.76
SCHEMBL1821872 0.76
SCHEMBL2488294 0.73
Hydrochloric Acid SCHEMBL27848518 0.72
SCHEMBL1977880 0.69
SCHEMBL6274708 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4518813-A 1-CHLORO-2,6.10-TRIMETHYLUNDECANE FROM BETA-CHLOROISOBUTYRIC ACID,MULTISTEP BASF AKTIENGESELLSCHAFT (DE) 1985-05-21 US claimed
EP-0076448-B1 OPTICALLY ACTIVE COMPONENTS FOR THE SYNTHESIS OF THE SIDE CHAIN OF (R,R,R)-ALPHA-TOCOPHEROL AND PROCESS FOR THEIR PREPARATION BASF Aktiengesellschaft (DE) 1984-12-19 EP claimed
EP-0076448-A1 Optically active components for the synthesis of the side chain of (R,R,R)-alpha-tocopherol and process for their preparation BASF Aktiengesellschaft (DE) 1983-04-13 EP claimed
JP-2218624-A None JP disclosed
US-9670209-B2 Muscarinic agonists ACADIA PHARMACEUTICALS INC. (US) 2017-06-06 US disclosed
US-9522906-B2 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2016-12-20 US disclosed
US-20160039819-A1 MUSCARINIC AGONISTS ALLERGAN, INC. 2016-02-11 US disclosed
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2014-08-07 US disclosed
US-8680115-B2 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
CN-102796095-A Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARM INC 2012-11-28 CN disclosed
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2009-09-24 US disclosed
EP-1411942-A4 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2005-01-26 EP disclosed
EP-1411942-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS Synaptic Pharmaceutical Corporation (US) 2004-04-28 EP disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS INC. 2003-09-18 US disclosed
WO-2003004027-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-01-16 WO disclosed
JP-H02218624-A NOVEL OPTICALLY ACTIVE PROPANE DERIVATIVE BASF AG 1990-08-31 JP disclosed
US-4518813-A 1-CHLORO-2,6.10-TRIMETHYLUNDECANE FROM BETA-CHLOROISOBUTYRIC ACID,MULTISTEP BASF AKTIENGESELLSCHAFT (DE) 1985-05-21 US disclosed
EP-0076448-B1 OPTICALLY ACTIVE COMPONENTS FOR THE SYNTHESIS OF THE SIDE CHAIN OF (R,R,R)-ALPHA-TOCOPHEROL AND PROCESS FOR THEIR PREPARATION BASF Aktiengesellschaft (DE) 1984-12-19 EP disclosed
EP-0076448-A1 Optically active components for the synthesis of the side chain of (R,R,R)-alpha-tocopherol and process for their preparation BASF Aktiengesellschaft (DE) 1983-04-13 EP disclosed