SCHEMBL454701

SCHEMBL454701

[C]1=C[N]c2ccccc21

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
SCHEMBL2925289 0.67 KMT2A (0.35)
SCHEMBL1162922 0.64
SCHEMBL9148625 0.55 CYP2A6 (0.36)
SCHEMBL29767688 0.55 CYP2A6 (0.36)
SCHEMBL8058639 0.55 CYP2A6 (0.36)
SCHEMBL5487950 0.55
SCHEMBL30373279 0.55
SCHEMBL205284 0.55
SCHEMBL8776016 0.55 CYP2A6 (0.36)
SCHEMBL237481 0.55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6043247-A A SUBSTITUTED ACRYLIC ACIDS FOR USE IN TREATMENT OF HUMAN AND ANIMAL DISORDERS, AND PURIFICATION OF PROTEINS OR GLYCOPROTEINS, AND TO THEIR USE IN DIAGNOSIS NOVO NORDISK A/S (DK) 2000-03-28 US claimed
US-5917003-A Process for producing polymers of α,ω-unsaturated conjugated compounds, and high molecular weight conjugated polymers thus obtainable HOECHST AKTIENGESELLSCHAFT (DE) 1999-06-29 US claimed
US-10808275-B2 Use of at least one chromogenic and/or fluorogenic phosphatase substrate for the detection and/or enumeration of enterobacteria in a sample bioMérieux (FR) 2020-10-20 US disclosed
US-10351896-B2 Use of at least one substrate of carboxylesterase and/or triacylglycerol lipase for detecting bacteria of the group Bacillus cereus BIOMERIEUX (FR) 2019-07-16 US disclosed
EP-3094738-B1 USE OF AT LEAST ONE SUBSTRATE OF CARBOXYLESTERASE AND/OR TRIACYLGLYCEROL LIPASE FOR DETECTING BACTERIA OF THE GROUP BACILLUS CEREUS BIOMERIEUX SA (FR) 2018-07-18 EP disclosed
US-9969758-B2 Antimicrobial compounds BIOMERIEUX (FR) 2018-05-15 US disclosed
EP-3119799-B1 ANTIMICROBIAL COMPOUNDS BIOMERIEUX SA (FR) 2018-03-14 EP disclosed
US-20170158720-A1 Antimicrobial Compounds BIOMERIEUX (FR) 2017-06-08 US disclosed
EP-3119799-A1 ANTIMICROBIAL COMPOUNDS Biomérieux (FR) 2017-01-25 EP disclosed
EP-3094738-A1 USE OF AT LEAST ONE SUBSTRATE OF CARBOXYLESTERASE AND/OR TRIACYLGLYCEROL LIPASE FOR DETECTING BACTERIA OF THE GROUP BACILLUS CEREUS Biomérieux (FR) 2016-11-23 EP disclosed
US-20160319326-A1 USE OF AT LEAST ONE SUBSTRATE OF CARBOXYLESTERASE AND/OR TRIACYLGLYCEROL LIPASE FOR DETECTING BACTERIA OF THE GROUP BACILLUS CEREUS BIOMERIEUX (FR) 2016-11-03 US disclosed
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 WO disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 EP disclosed
US-20060194857-A1 Novel heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. LTD. (JP) 2006-08-31 US disclosed
EP-1647546-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-04-19 EP disclosed
US-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed