SCHEMBL8089517

SCHEMBL8089517

NC(=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
SCHEMBL6053111 0.78
SCHEMBL11079685 0.76 CTSD (0.34)
SCHEMBL6053385 0.71 TSHR (0.39)
SCHEMBL10591666 0.66
SCHEMBL18513472 0.55
SCHEMBL39118 0.51 ALDH1A1 (0.70)
SCHEMBL4967588 0.51 ALDH1A1 (0.70)
SCHEMBL21755166 0.49 PARP1 (1.00)
Benzoquinone SCHEMBL5963896 0.48 TDP1 (0.61)
SCHEMBL813450 0.48 PARP1 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0376724-A2 Cephalosporin compounds TANABE SEIYAKU CO., LTD. (JP) 1990-07-04 EP claimed
US-4861769-A Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-29 US claimed
EP-0070803-A2 Antibiotically active aminotriazolylcephalosporin derivatives and their preparation CIBA-GEIGY AG (CH) 1983-01-26 EP claimed
EP-0031794-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1981-07-08 EP claimed
EP-0016296-A1 Cephalosporin derivatives, process for their preparation, compositions containing them, and intermediates and their preparation CIBA-GEIGY AG (CH) 1980-10-01 EP claimed
EP-0000500-A2 Cephalosprin derivatives, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1979-02-07 EP claimed
US-6146430-A Asymmetric dioxazine compound and method for dyeing or printing fiber Material using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-11-14 US disclosed
US-5847090-A Monoazo compounds and process for dyeing or printing fiber materials using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-12-08 US disclosed
EP-0308867-B1 Alkenylsilylazetidinone intermediates for carbapenems SHIONOGI & CO (JP) 1995-07-26 EP disclosed
EP-0318968-B1 Monoazo red dye compound having vinylsulfone type fiber reactive groups SUMITOMO CHEMICAL CO (JP) 1994-03-30 EP disclosed
EP-0372543-B1 Monoazo red reactive dye compound of vinylsulfone type SUMITOMO CHEMICAL CO (JP) 1994-03-16 EP disclosed
US-5104978-A Colorfast chemical resistant dyes for cellulose fibers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-04-14 US disclosed
US-5037965-A Colorfastness; build-up, level-dyeing and washing off properties; solubility SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-08-06 US disclosed
US-4374134-A Cephalosporin compounds with terminal aminocarboxylic acid groupings and anti-bacterial use thereof CIBA-GEIGY CORPORATION (US) 1983-02-15 US disclosed
EP-0070803-A2 Antibiotically active aminotriazolylcephalosporin derivatives and their preparation CIBA-GEIGY AG (CH) 1983-01-26 EP disclosed
EP-0000500-B1 CEPHALOSPRIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1982-04-28 EP disclosed
EP-0037797-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1981-10-14 EP disclosed
EP-0031794-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1981-07-08 EP disclosed
EP-0016296-A1 Cephalosporin derivatives, process for their preparation, compositions containing them, and intermediates and their preparation CIBA-GEIGY AG (CH) 1980-10-01 EP disclosed
EP-0000500-A2 Cephalosprin derivatives, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1979-02-07 EP disclosed