SCHEMBL8080559

SCHEMBL8080559

[NH]CCCS(=O)(=O)CCBr

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
SCHEMBL3906374 0.80
SCHEMBL9339421 0.74 APP (0.46)
SCHEMBL7795122 0.74
SCHEMBL8124898 0.74 APP (0.40)
SCHEMBL2590971 0.74 APEX1 (0.32)
SCHEMBL11083320 0.70 CA2 (0.56)
SCHEMBL7056128 0.69
SCHEMBL6664605 0.67
SCHEMBL7056133 0.67
SCHEMBL10391229 0.67

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703906-B1 FIBER REACTIVE ANTHRAQUINONE DYES DYSTAR L P (US) 2000-08-30 EP disclosed
EP-0538785-B1 Water-soluble fiber-reactive dyes, process for their preparation and their use HOECHST AG (DE) 1997-04-09 EP disclosed
EP-0703906-A4 FIBER REACTIVE ANTHRAQUINONE DYES HOECHST CELANESE CORP (US) 1996-08-28 EP disclosed
US-5539109-A Fiber-reactive triphenodioxazine dyes HOECHST CELANESE CORPORATION (US) 1996-07-23 US disclosed
EP-0703906-A1 FIBER REACTIVE ANTHRAQUINONE DYES HOECHST CELANESE CORPORATION (US) 1996-04-03 EP disclosed
US-5393884-A Water soluble blue dyes HOECHST CELANESE CORPORATION (US) 1995-02-28 US disclosed
US-5321134-A Water-soluble phthalocyanine dyes, processes for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-14 US disclosed
US-5302708-A Colorfastness HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-12 US disclosed
US-5280110-A Fiber-reactive dye HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-18 US disclosed
EP-0471702-B1 WATER-SOLUBLE REACTIVE DYES FOR FIBRES, THEIR PREPARATION AND USE HOECHST AG (DE) 1993-12-29 EP disclosed
US-5256776-A Brilliant green dyeings; fiber reactive HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-26 US disclosed
US-5231172-A Water solubility HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-27 US disclosed
US-5227475-A WATER-SOLUBLE FIBER-REACTIVE DYESTUFFS CONTAINING A CYANAMIDO-SUBSTITUTED TRIAZINYLAMINO-GROUPING, AND A PROCESS FOR DYEING WITH THE USE OF THESE DYES HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-13 US disclosed
EP-0548792-A2 Water-soluble reactive dyes, their manufacture and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-30 EP disclosed
EP-0541057-A1 Water-soluble phthalocyanine dyes, process for their preparation and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1993-05-12 EP disclosed
EP-0538785-A2 Water-soluble fiber-reactive dyes, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-28 EP disclosed
EP-0530660-A2 Water-soluble phthalocyanine dyes, process for their preparation and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-10 EP disclosed
EP-0527441-A2 Water-soluble phthalocyanine dyes, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-02-17 EP disclosed
WO-1990013604-A1 WATER-SOLUBLE REACTIVE DYES FOR FIBRES, THEIR PREPARATION AND USE HOECHST AKTIENGESELLSCHAFT (DE) 1990-11-15 WO disclosed