SCHEMBL9913086

SCHEMBL9913086

CC1=CC=C([N+](=O)[O-])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
SCHEMBL5980626 0.79 TSHR (0.33)
SCHEMBL5977272 0.73 TSHR (0.33)
SCHEMBL14679918 0.71
SCHEMBL16724660 0.71 TDP1 (0.34)
SCHEMBL12390891 0.71 MEN1 (0.33)
SCHEMBL6364093 0.71 ACHE (0.31)
SCHEMBL14392214 0.71 LMNA (0.33)
SCHEMBL12208008 0.70 ACHE (0.44)
SCHEMBL18518038 0.70 TSHR (0.32)
SCHEMBL4584159 0.69 MEN1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9226932-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
US-9187467-B2 2-phenyl benzothiazole linked imidazole compounds as potential anticancer agents and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-11-17 US disclosed
US-20150141657-A1 2-PHENYL BENZOTHIAZOLE LINKED IMIDAZOLE COMPOUNDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-05-21 US disclosed
US-20140170240-A1 Phosphoramidate Alkylator Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-06-19 US disclosed
US-8664204-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130303778-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS, INC. 2013-11-14 US disclosed
US-8507464-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8278454-B2 Process for preparing tetrahydroquinoline derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-10-02 US disclosed
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
US-8198452-B2 Polymorphic forms and process MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-06-12 US disclosed
US-8003625-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
US-7915416-B2 Tetrahydroquinolines MERCK PATENT GMBH (DE) 2011-03-29 US disclosed
US-7893082-B2 Antitumor agents; anticancer agents MERCK PATENT GMBH (DE) 2011-02-22 US disclosed
US-20100311976-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2010-12-09 US disclosed
US-20100137254-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS IMMUNOGENESIS, INC. 2010-06-03 US disclosed
US-20090176820-A1 POLYMORPHIC FORMS AND PROCESS MERCK PATENT GESELLSCHAFT (DE) 2009-07-09 US disclosed
US-20090030028-A1 Tetrahydroquinolines MERCK PATENT GMBH (DE) 2009-01-29 US disclosed
US-20080221118-A1 treatment of tumors; 1,5-bis(4'-(N-hydroxyamidino)phenoxy)pentane; maintain cells in the G2/M cell cycle MERCK PATENT GMBH (DE) 2008-09-11 US disclosed
US-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 MERCK PATENT GMBH (DE) 2008-08-21 US disclosed
US-20080194615-A1 Antitumor agents; anticancer agents MERCK PATENT GMBH (DE) 2008-08-14 US disclosed