SCHEMBL445750

SCHEMBL445750

COCc1cccnc1

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
SCHEMBL29432703 1.00
SCHEMBL10379094 0.84 CHRM2 (0.52)
SCHEMBL16710545 0.83 MAPK1 (0.59)
SCHEMBL12417049 0.83 CHRNB2 (0.50)
SCHEMBL22520043 0.83 CHRM2 (0.51)
SCHEMBL493020 0.82 CYP1A2 (0.56)
SCHEMBL22454269 0.81 CHRM2 (0.47)
Hydrochloric Acid SCHEMBL27794086 0.80 CYP1A2 (0.54)
SCHEMBL24700847 0.80 EPHX2 (0.62)
SCHEMBL16215605 0.79 CHRNB2 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365965-B1 PROCESS FOR MANUFACTURING SUBSTITUTED 3-PYRIDYLMETHYL AMMONIUM BROMIDES BASF SE (DE) 2019-01-09 EP claimed
EP-2373623-B1 PROCESS FOR MANUFACTURING SUBSTITUTED 5-METHOXYMETHYLPYRIDINE-2,3-DICARBOXYLIC ACID DERIVATIVES BASF SE (DE) 2017-03-29 EP claimed
US-20150164854-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEROF PHARMACYCLICS LLC 2015-06-18 US claimed
US-20090149439-A1 PYRIDYLMETHYSULFONE DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-06-11 US claimed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US claimed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
US-7368476-B2 Hydroxamates as therapeutic agents PHARMACYCLICS, INC. (US) 2008-05-06 US claimed
EP-1867636-A1 PYRIDYLMETHYLSULFONE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2007-12-19 EP claimed
WO-2005097770-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2005-10-20 WO claimed
US-20050227976-A1 Novel hydroxamates as therapeutic agents AXYS PHARMACEUTICALS, INC. (US) 2005-10-13 US claimed
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US claimed
EP-1104763-A1 NAPHTHYRIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-06-06 EP claimed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP claimed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO claimed
EP-0548522-B1 Process for the purification of 2,3-pyridine and quinolinedicarboxylic acid diester compounds AMERICAN CYANAMID CO (US) 1997-01-29 EP claimed
EP-0175363-B1 4,5-DIHYDRO-3(2H)-PYRIDAZINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1990-01-17 EP claimed
US-4816454-A CARDIOVASCULAR DISORDERS CASSELLA AKTIENGESELLSCHAFT (DE) 1989-03-28 US claimed
EP-0175363-A2 4,5-Dihydro-3(2H)-pyridazinones, process for their preparation and their use CASSELLA Aktiengesellschaft (DE) 1986-03-26 EP claimed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
EP-0175363-A2 4,5-Dihydro-3(2H)-pyridazinones, process for their preparation and their use CASSELLA Aktiengesellschaft (DE) 1986-03-26 EP disclosed