SCHEMBL3385199

SCHEMBL3385199

O=C(O)C1=COOC=C1

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
SCHEMBL3717746 0.70
SCHEMBL3717740 0.69
SCHEMBL10921873 0.67
SCHEMBL27571380 0.67
SCHEMBL4294976 0.62
SCHEMBL604100 0.62
SCHEMBL27695906 0.62
SCHEMBL4609316 0.62
SCHEMBL3645716 0.61
Benzene SCHEMBL27618852 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110642741-A Functionalized benzamide derivatives as antiviral agents against HBV infection 巴鲁克斯布隆伯格研究所 2020-01-03 CN claimed
CN-104918612-B Functionalized benzamide derivatives as antiviral agents against HBV infection 巴鲁克斯布隆伯格研究所 2019-10-25 CN claimed
EP-2928459-A2 FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION Baruch S. Blumberg Institute (US) 2015-10-14 EP claimed
CN-104918612-A FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION INST HEPATITIS & VIRUS RES 2015-09-16 CN claimed
WO-2014089296-A2 FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION INSTITUTE FOR HEPATITIS AND VIRUS RESEARCH (US) 2014-06-12 WO claimed
CN-1826121-B Application of phenyl and pyridyl derivatives in preparation of drugs for regulating calcium ion release and activating calcium ion channels SYNTA PHARMACEUTICALS CORP 2013-05-29 CN claimed
CN-102793692-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP 2012-11-28 CN claimed
CN-102015645-B Piperidine and pyrrolidine compounds ACTELION PHARMACEUTICALS LTD 2012-11-14 CN claimed
CN-101641342-B Thiazolidine derivatives as orexin receptor antagonist ACTELION PHARMACEUTICAL LTD CH 2012-10-03 CN claimed
CN-101568536-B 2-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-12-28 CN claimed
CN-1826121-A Method for regulating and controlling calcium ion release to activate calcium ion channel SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 CN claimed
CN-1826120-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 CN claimed
EP-1406609-A2 SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2004-04-14 EP claimed
EP-1406609-A4 SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2004-04-14 EP claimed
CN-1142161-C Dihydrobenzodioxine carboxamide and ketone derivatives as 5-HT 4 receptor antagonists - 2004-03-17 CN claimed
WO-2002060378-A2 SUBSTITUTED ARYL COMPOUNDS AS CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2002-08-08 WO claimed
CN-1315950-A Dihydrobenzodioxine carboxamide and ketone derivatives as 5-HT 4 receptor antagonists HOFFMANN LA ROCHE (CH) 2001-10-03 CN claimed
EP-1112270-A1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-07-04 EP claimed
WO-2000015636-A1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-03-23 WO claimed
CN-1205004-A Novel esters of 3-hydroxy-piperidinemethanol derivatives JANSSEN PHARMACEUTICA NV (BE) 1999-01-13 CN claimed