SCHEMBL7760484

SCHEMBL7760484

O=S(=O)(CCCl)CCNCCS(=O)(=O)CCCl

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
Hydrochloric Acid SCHEMBL7828492 0.97
SCHEMBL9337359 0.91
SCHEMBL8779976 0.89 CA12 (0.43)
SCHEMBL8082063 0.89
SCHEMBL7838213 0.89 CA1 (0.36)
Hydrochloric Acid SCHEMBL10392658 0.87 KDM4E (0.44)
SCHEMBL9171004 0.85 CYP2C19 (0.35)
SCHEMBL7840916 0.85 TSHR (0.41)
SCHEMBL8480622 0.84
SCHEMBL9551399 0.83 ALDH1A1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0697443-B1 Triphendioxazine reactive dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2001-04-04 EP claimed
EP-0728817-A2 Monoazo compounds and dyeing or printing methods using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-08-28 EP claimed
EP-0697443-A2 Triphendioxazine reactive dyes HOECHST AKTIENGESELLSCHAFT (DE) 1996-02-21 EP claimed
EP-0697443-B1 Triphendioxazine reactive dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2001-04-04 EP disclosed
US-5944854-A LEUCO DYES DYSTAR TEXTILFARBEN GMBH & CO. (DE) 1999-08-31 US disclosed
US-5696258-A REDUCING TO LEUCO FORM; REOXIDATION DYSTAR TEXTILFARBEN GMBH (DE) 1997-12-09 US disclosed
EP-0492128-B1 Triazine compounds and method for dyeing or printing fiber materials using the same SUMITOMO CHEMICAL CO (JP) 1997-06-04 EP disclosed
EP-0773264-A1 Process for the preparation of triphenodioxazine dyes amidated on both sides and triphenodioxazine dyes DyStar Textilfarben GmbH &amp; Co. Deutschland KG (DE) 1997-05-14 EP disclosed
EP-0728817-A2 Monoazo compounds and dyeing or printing methods using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-08-28 EP disclosed
EP-0697443-A2 Triphendioxazine reactive dyes HOECHST AKTIENGESELLSCHAFT (DE) 1996-02-21 EP disclosed
EP-0382111-B1 Copper complex-formazane compounds, process for their preparation and their use as dyestuffs HOECHST AG (DE) 1994-06-08 EP disclosed
US-4918169-A COTTON CIBA-GEIGY CORPORATION (US) 1990-04-17 US disclosed
US-4908436-A Reactive dyes CIBA-GEIGY CORPORATION (US) 1990-03-13 US disclosed
US-4902786-A Phenylazonaphthol or naphthylazonaphthol compounds containing a fibre-reactive aminophenylamino-substituted halogen-s-triazinylamino group and a fibre-reactive group of the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-20 US disclosed
US-4841028-A FOR COLD PAD-BATCH PROCESS HUNTSMAN INTERNATIONAL LLC 1989-06-20 US disclosed
US-4775746-A Water-soluble monoazo compounds containing a fiber-reactive group of the vinylsulfone series and having a sulfonaphthol coupling component with a phenylaminotriazinylamino substituent, suitable as dyestuffs HOECHST AKTIENGESELLSHAFT (DE) 1988-10-04 US disclosed
US-4757136-A Water-soluble Azo compounds containing fiber-reactive groups and having a sulfo-naphthol coupling component with a triazinylamino substituent suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-12 US disclosed
US-4740592-A Water-soluble azo compounds containing fiber-reactive groups and having a sulfo-naphthal coupling component with a triazinylamino substituent suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-04-26 US disclosed
US-4709018-A COLORFAST CIBA-GEIGY CORPORATION (US) 1987-11-24 US disclosed
US-4394310-A DIAZOTIZATION, CYCLIZATION HOECHST AKTIENGESELLSCHAFT (DE) 1983-07-19 US disclosed