SCHEMBL888653

SCHEMBL888653

CNC(=O)c1ccc[nH]1

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
SCHEMBL28029054 0.98
SCHEMBL14742539 0.88 KDM4E (0.44)
Edetic Acid SCHEMBL7538782 0.82 TSHR (0.44)
SCHEMBL5204640 0.80
1-Methylimidazole SCHEMBL6040916 0.80 CD38 (0.42)
SCHEMBL18953099 0.78
SCHEMBL2569547 0.78
SCHEMBL3699321 0.78
SCHEMBL2449027 0.78 KDM4E (0.49)
SCHEMBL2781925 0.78 KDM4E (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 250 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682135-B2 Drug delivery product and methods UNIVERSITY OF MASSACHUSETTS (US) 2017-06-20 US claimed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US claimed
US-20140335047-A1 DRUG DELIVERY PRODUCT AND METHODS UNIVERSITY OF MASSACHUSETTS (US) 2014-11-13 US claimed
US-8546588-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-01 US claimed
EP-1755567-B1 DRUG DELIVERY PRODUCT AND METHODS UNIV MASSACHUSETTS (US) 2010-11-03 EP claimed
CN-101001615-A Drug delivery product and method NEXMED HOLDINGS INC (US) 2007-07-18 CN claimed
US-20070054276-A1 Polynucleotide analysis and methods of using nanopores AGILENT TECHNOLOGIES, INC. 2007-03-08 US claimed
EP-1755567-A2 DRUG DELIVERY PRODUCT AND METHODS Nexmed Holdings, Inc. (US) 2007-02-28 EP claimed
CN-1267419-C Trifluoromethylpyrrole carboxamides and trifluoromethylpyrrolethionamides as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2006-08-02 CN claimed
WO-2006007372-A2 DRUG DELIVERY PRODUCT AND METHODS OSTROFF GARY R (US) 2006-01-19 WO claimed
US-20030211508-A1 Charged compounds comprising a nucleic acid binding moiety and uses therefor GENESOFT, INC. 2003-11-13 US claimed
EP-1265921-A1 CHARGED COMPOUNDS COMPRISING A NUCLEIC ACID BINDING MOIETY AND USES THEREFOR Genesoft, Inc. (US) 2002-12-18 EP claimed
US-20020065227-A1 Charged compounds comprising a nucleic acid binding moiety and uses therefor GENESOFT PHARMACEUTICALS, INC. 2002-05-30 US claimed
WO-2001074898-A2 CHARGED COMPOUNDS COMPRISING A NUCLEIC ACID BINDING MOIETY AND USES THEREFOR GENESOFT, INC. (US) 2001-10-11 WO claimed
CN-1311774-A Trifluoromethyl pyrrole carboxamides SINGENTA INVOLVEMENT CO LTD (CH) 2001-09-05 CN claimed
US-6090947-A Method for the synthesis of pyrrole and imidazole carboxamides on a solid support CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-07-18 US claimed
EP-0986539-A1 DNA-BINDING PYRROLE AND IMIDAZOLE POLYAMIDE DERIVATIVES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-03-22 EP claimed
US-5955590-A OLIGONUCLEOTIDE COVALENTLY COUPLED TO PEPTIDE OF N-METHYLPYRROLECARBOXAMIDES; FOR STABILIZING HYBRIDIZATION COMPLEXES IN ANTISENSE THERAPY AND DNA DETECTION SYSTEMS USING PROBES WORCESTER FOUNDATION FOR BIOMEDICAL RESEARCH (US) 1999-09-21 US claimed
WO-1998049142-A1 DNA-BINDING PYRROLE AND IMIDAZOLE POLYAMIDE DERIVATIVES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-11-05 WO claimed
WO-1998002448-A1 CONJUGATES OF MINOR GROOVE DNA BINDERS WITH ANTISENSE OLIGONUCLEOTIDES UNIVERSITY OF MASSACHUSETTS (US) 1998-01-22 WO claimed