Benzene

Benzene

SCHEMBL8082226

CC(C)CN.c1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.48
ALDH1A1 P00352 2/20 0.47
HTR2A P28223 1/20 0.40
CACNA2D1 P54289 2/20 0.36
CACNB3 P54284 1/20 0.36
CACNA1C Q13936 1/20 0.36
PGR P06401 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
CACNA2D2 Q9NY47 1/20 0.36
SLC6A2 P23975 2/20 0.35
MAOA P21397 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP2A6 P11509 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL1875382 0.87 ALDH1A1 (0.58) TAAR1ALDH1A1CACNA2D1CACNB3CACNA1C
SCHEMBL16339 0.87
Bromide SCHEMBL14157491 0.82
Water SCHEMBL4798777 0.82
SCHEMBL3828904 0.82
Hydrochloric Acid SCHEMBL4701992 0.82
Iodide SCHEMBL6417639 0.82
Hydrazine SCHEMBL7939882 0.82
SCHEMBL3132445 0.82
Hydrogen Sulfide SCHEMBL11019612 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735113-B1 Mixtures of reactive dyes and their use CIBA SC HOLDING AG (CH) 2000-10-18 EP disclosed
US-5892006-A CONTAINING S-TRIAZINE RINGS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-04-06 US disclosed
US-5735911-A TRIAZINE DYES HAVING GOOD WET AND LIGHT FASTNESS PROPERTIES CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-04-07 US disclosed
US-5731421-A COLORFASTNESS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-03-24 US disclosed
EP-0495753-B1 Reactive dyes, methods of their preparation and their use CIBA GEIGY AG (CH) 1997-07-16 EP disclosed
EP-0478503-B1 Fibre reactive dyes and mixtures of dyes and their utilization CIBA GEIGY AG (CH) 1997-07-16 EP disclosed
EP-0485336-B1 Mixtures of reactive dyes, process for their preparation and their utilization CIBA GEIGY AG (CH) 1997-03-26 EP disclosed
US-5612463-A AMINOTRIAZINE DYES CIBA-GEIGY CORPORATION (US) 1997-03-18 US disclosed
EP-0735113-A2 Mixtures of reactive dyes and their use CIBA-GEIGY AG (CH) 1996-10-02 EP disclosed
US-5530104-A SUITABLE FOR DYEING AND PRINTING O CELLULOSE-CONTAINING FIBER MATERIAL; GOOD COLORFASTNESS CIBA-GEIGY CORPORATION (US) 1996-06-25 US disclosed
EP-0478503-A2 Fibre reactive dyes and mixtures of dyes and their utilization CIBA-GEIGY AG (CH) 1992-04-01 EP disclosed
EP-0458743-A2 Reactive dyestuffs, methods of their preparation and use CIBA-GEIGY AG (CH) 1991-11-27 EP disclosed
US-5021557-A Copper-containing formazan dye, colorfast blue shades on cellulose CIBA-GEIGY CORPORATION (US) 1991-06-04 US disclosed
EP-0333656-A1 Reactive dyes, process for their preparation and their use CIBA-GEIGY AG (CH) 1989-09-20 EP disclosed
US-4841049-A FOR CELLULOSIC FIBERS; BRIGHT BLUE COLORS; WET- AND LIGHTFAST CIBA-GEIGY CORPORATION (US) 1989-06-20 US disclosed
EP-0260227-A1 Dioxazine reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1988-03-16 EP disclosed
US-4578457-A Reactive mono-azo dyes and the preparation and use thereof CIBA-GEIGY AG (CH) 1986-03-25 US disclosed
EP-0073178-B1 REACTIVE DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1985-05-29 EP disclosed
EP-0101665-A2 Reactive dyestuffs of the dioxazine series, their preparation and their use CIBA-GEIGY AG (CH) 1984-02-29 EP disclosed
EP-0073178-A1 Reactive dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1983-03-02 EP disclosed