SCHEMBL6053111

SCHEMBL6053111

O=C(O)C1=[N+]C=CC=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
SCHEMBL8089517 0.78
SCHEMBL11079685 0.73 CTSD (0.34)
SCHEMBL6053385 0.73 TSHR (0.39)
SCHEMBL9792187 0.67 AKR1B1 (0.39)
SCHEMBL27726148 0.58
SCHEMBL514533 0.58 TSHR (0.35)
SCHEMBL514534 0.58 TSHR (0.35)
SCHEMBL27209675 0.56 TSHR (0.33)
Benzoic Acid SCHEMBL20185679 0.53
Terephthalic Acid SCHEMBL9621388 0.52 TSHR (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723995-B1 Anthraquinone reactive dye compositions and methods for dyeing or printing using the same SUMITOMO CHEMICAL CO (JP) 1998-09-16 EP claimed
EP-0723995-A1 Anthraquinone reactive dye compositions and methods for dyeing or printing using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-07-31 EP claimed
EP-0588858-A1 IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-30 EP claimed
WO-1992022551-A1 IMIDAZO[2,1-b][3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-23 WO claimed
EP-0518435-A1 Imidazo[2,1-b][3]benzazepine derivatives, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP claimed
EP-0400647-A1 Polyazo dye compounds having vinylsulfone type and pyridinium type fiber reactive groups SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-12-05 EP claimed
EP-0070803-A2 Antibiotically active aminotriazolylcephalosporin derivatives and their preparation CIBA-GEIGY AG (CH) 1983-01-26 EP claimed
EP-0047977-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their use CIBA-GEIGY AG (CH) 1982-03-24 EP claimed
JP-61171770-A None JP disclosed
JP-61171769-A None JP disclosed
JP-61293263-A None JP disclosed
EP-0873687-B2 Disinfecting and fungicidal composition based on peracetic acid and an amine oxide CHEMOXAL SA (FR) 2006-04-26 EP disclosed
EP-0873687-B1 Disinfecting and fungicidal composition based on peracetic acid and an amine oxide CHEMOXAL SA (FR) 2002-06-05 EP disclosed
US-6392021-B1 DISAZO DYES CIBA SPECIALTY CHEMICALS CORPORATION 2002-05-21 US disclosed
JP-S61171769-A MONOAZO COMPOUND AND METHOD FOR DYEING OR PRINTING USING SAME SUMITOMO CHEM CO LTD 1986-08-02 JP disclosed
EP-0121499-A2 Cephalosporins, their preparation and pharmaceutical compositions CIBA-GEIGY AG (CH) 1984-10-10 EP disclosed
EP-0092830-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1983-11-02 EP disclosed
EP-0076452-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1983-04-13 EP disclosed
EP-0070803-A2 Antibiotically active aminotriazolylcephalosporin derivatives and their preparation CIBA-GEIGY AG (CH) 1983-01-26 EP disclosed
EP-0047977-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their use CIBA-GEIGY AG (CH) 1982-03-24 EP disclosed