SCHEMBL563347

SCHEMBL563347

N=C(N)c1[c]cccc1

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
SCHEMBL11148332 0.84 F2 (0.35)
SCHEMBL9115818 0.76
SCHEMBL3468212 0.76
SCHEMBL55042 0.76
SCHEMBL6987500 0.73
SCHEMBL15808459 0.73 TSHR (0.32)
SCHEMBL1728266 0.71
SCHEMBL18301294 0.71
SCHEMBL6570211 0.71 TSHR (0.30)
SCHEMBL6633090 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 445 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110586445-A Production and manufacturing process of modified black epoxy hydrophilic aluminum foil 黄山天马铝业有限公司 2019-12-20 CN claimed
CN-102464701-B One class novel cpd, Preparation Method And The Use SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2015-10-21 CN claimed
US-8691859-B2 Broad spectrum antibacterial compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2014-04-08 US claimed
EP-2069288-B1 TARTRATE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2014-03-26 EP claimed
CN-101516833-B Tartaric acid derivatives as coagulation factor IXa inhibitors SANOFI AVENTIS 2013-04-03 CN claimed
US-8263621-B2 Tartrate derivatives for use as coagulation factor IXa inhibitors SANOFI (FR) 2012-09-11 US claimed
CN-102464701-A Novel compound, preparation method and application thereof SHANGHAI INST PHARM INDUSTRY 2012-05-23 CN claimed
US-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins BAVARI SINA 2011-04-14 US claimed
US-20090233961-A1 TARTRATE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US claimed
CN-101516833-A Tartaric acid derivatives as coagulation factor IXa inhibitors SANOFI AVENTIS (FR) 2009-08-26 CN claimed
JP-H08505862-A 1996-06-25 JP claimed
WO-1996007648-A1 2-SUBSTITUTED-4H-3,1-BENZOXAZIN-4-ONES AND BENZTHIAZIN-4-ONES AS INHIBITORS OF COMPLEMENT Clr PROTEASE FOR THE TREATMENT OF INFLAMMATORY PROCESSES WARNER-LAMBERT COMPANY (US) 1996-03-14 WO claimed
WO-1996002514-A1 UREA AND CARBAMIC ACID DERIVATIVES, DRUGS CONTAINING THESE COMPOUNDS, AND PROCESS FOR THEIR PREPARATION DR. KARL THOMAE GMBH (DE) 1996-02-01 WO claimed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 EP claimed
EP-0680332-A1 COMBINATION OF A SOLUBLE COMPLEMENT RECEPTOR -1(SCR1) AND AN AMIDINOPHENYL OR AMIDINO NAPHTHYL-ESTER FOR TREATING INFLAMMATION SMITHKLINE BEECHAM PLC (GB) 1995-11-08 EP claimed
WO-1995007291-A1 KININOGEN INHIBITORS FERRING B.V. (NL) 1995-03-16 WO claimed
WO-1994016719-A1 COMBINATION OF A SOLUBLE COMPLEMENT RECEPTOR -1(SCR1) AND AN AMIDINOPHENYL OR AMIDINO NAPHTHYL-ESTER FOR TREATING INFLAMMATION SMITHKLINE BEECHAM PLC (GB) 1994-08-04 WO claimed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 WO claimed
EP-0384362-A2 Glycinderivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-08-29 EP claimed
US-4889860-A ANALGESICS, ANTISHOCK AGENTS, DIETETICS, ANTIHALLUCINOGENS; SIDE EFFECT REDUCTION NOVA PHARMACEUTICAL CORPORATION (US) 1989-12-26 US claimed