SCHEMBL867459

SCHEMBL867459

O=[N+]([O-])c1[c]cc[c]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
SCHEMBL5581181 0.76 MEN1 (0.35)
Water SCHEMBL28995322 0.67 TSHR (0.46)
SCHEMBL25677 0.67
SCHEMBL8082519 0.66 MAPT (0.34)
SCHEMBL3277949 0.66 LMNA (0.33)
SCHEMBL2098381 0.65
SCHEMBL8074332 0.65 ALDH1A1 (0.33)
SCHEMBL28488325 0.65 ALDH1A1 (0.41)
Hydrochloric Acid SCHEMBL11200600 0.65 ALDH1A1 (0.41)
SCHEMBL26325 0.64 TSHR (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020217543-A1 METHOD FOR IDENTIFYING GENERATION SOURCES OF FINE PARTICULATES IN ATMOSPHERE 早川 和一 2020-10-29 WO claimed
US-9260710-B2 Photocleavable linker CITY OF HOPE (US) 2016-02-16 US claimed
US-20150291950-A1 PHOTOCLEAVABLE LINKER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-15 US claimed
US-9096844-B2 Photocleavable linker CITY OF HOPE (US) 2015-08-04 US claimed
US-8940392-B2 Titanium based inorganic-organic hybrid solid material, method for preparing same and uses thereof UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) 2015-01-27 US claimed
US-20140154775-A1 PHOTOCLEAVABLE LINKER CITY OF HOPE (US) 2014-06-05 US claimed
EP-2398812-B1 TITANIUM BASED INORGANIC-ORGANIC HYBRID SOLID MATERIAL, METHOD FOR PREPARING SAME AND USES THEREOF UNIV PARIS CURIE (FR) 2013-08-14 EP claimed
US-20120121904-A1 TITANIUM BASED INORGANIC-ORGANIC HYBRID SOLID MATERIAL, METHOD FOR PREPARING SAME AND USES THEREOF L'UNIVERSITE PIERRE ET MARIE CURIE, (PARIS 6) (FR) 2012-05-17 US claimed
EP-2398812-A1 TITANIUM BASED INORGANIC-ORGANIC HYBRID SOLID MATERIAL, METHOD FOR PREPARING SAME AND USES THEREOF Universite Pierre Et Marie Curie - Paris 6 (FR) 2011-12-28 EP claimed
EP-2358222-A1 MOLECULARLY IMPRINTED SMART POLYMERS (MISPs) Salio Nanotechnologies Ltd. (IL) 2011-08-24 EP claimed
US-5175261-A Useful for coloring cellulose materials, animal furs or leather IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-29 US claimed
US-5108502-A Azo dyes; water solubility; utility in inks for ink-jet printing HEWLETT-PACKARD COMPANY (US) 1992-04-28 US claimed
US-5037919-A Endcapper for polyesters, polycarbonates, polyamides and polyethers THE DOW CHEMICAL COMPANY (US) 1991-08-06 US claimed
US-4251257-A APPLYING TO EMERGED PLANTS MONSANTO COMPANY (US) 1981-02-17 US claimed
US-4197254-A POSTEMERGENCE HERBICIDES MONSANTO COMPANY (US) 1980-04-08 US claimed
US-4160764-A AZO ATTACHED TO AMINO AND ALKOXY SUBSTITUTED PHENYL, DYEING AND PRINTING CELLULOSE ACETATES, POLYAMIDES, POLYURETHANES, POLYOLEFINS, POLYCARBONATES, POLYESTERS HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-10 US claimed
US-4056523-A SULFONAMIDO SUBSTITUTED HOECHST AKTIENGESELLSCHAFT (DT) 1977-11-01 US claimed
US-4048148-A Polyazomethine fibers and films E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-09-13 US claimed
US-4033980-A Phthalocyanine dyestuffs and process for preparing them HOECHST AKTIENGESELLSCHAFT (DT) 1977-07-05 US claimed
US-3950383-A SEDATIVES, MUSCLE RELAXANTS, ANTIAGGRESSION CASSELLA FARBWERKE MAINKUR AKT (DT) 1976-04-13 US claimed