SCHEMBL4649893

SCHEMBL4649893

COc1n[c]nc(F)n1

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
SCHEMBL187430 0.82 MEN1 (0.35)
SCHEMBL397682 0.73
SCHEMBL4651689 0.71
SCHEMBL3548609 0.71 HSD17B10 (0.31)
SCHEMBL7804792 0.71 MEN1 (0.34)
SCHEMBL9627204 0.70
SCHEMBL11424743 0.69 SLC29A1 (0.33)
SCHEMBL6294571 0.68 ALDH1A1 (0.30)
SCHEMBL10618452 0.68 GAA (0.37)
SCHEMBL3544638 0.68 SMN1; SMN2 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808015-A RED FIBER REACTIVE, ACID DYES FOR CELLULOSE FIBERS, COTTON, WOOL, SILK, POLYAMIDES, POLYESTERS, POLYOLEFINS AND POLYACRYLONITRILE; COLORFASTNESS; BRIGHTNESS; TRIAZINE DYES BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US claimed
US-5744589-A FOR DYEING OR PRINTING SUBSTRATES BAYER AKTIENGESELLSCHAFT (DE) 1998-04-28 US claimed
US-4568350-A Cold pad-batch process for dyeing silk or silk-containing fiber blends with reactive dyes CIBA-GEIGY CORPORATION (US) 1986-02-04 US claimed
EP-1397438-B1 DYE MIXTURES OF FIBER-REACTIVE AZODYES AND THE USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO (DE) 2008-09-10 EP disclosed
CN-1817971-A Dye mixtures of fiber-reactive azodyes and the use thereof DYSTAR TEXTILFARBEN GMBH & CO (DE) 2006-08-16 CN disclosed
US-7060114-B2 Dye mixtures of fiber-reactive azo dyes and the use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2006-06-13 US disclosed
EP-1397439-B1 DYE MIXTURES OF FIBER-REACTIVE AZODYES AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO (DE) 2005-11-16 EP disclosed
US-6962611-B2 Dye mixtures of fiber-reactive azodyes and use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2005-11-08 US disclosed
US-6946006-B2 Black dye mixtures of fiber-reactive AZO dyes and use thereof for dyeing material containing hydroxy- and/or carboxamido groups DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2005-09-20 US disclosed
US-20040148714-A1 Dye mixtures of fiber-reactive azodyes and the use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2004-08-05 US disclosed
US-20040139567-A1 Dye mixtures of fiber-reactive azodyes and use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2004-07-22 US disclosed
US-4678851-A FIBER-RACTIVE CIBA-GEIGY CORPORATION (US) 1987-07-07 US disclosed
US-4591643-A Triphendioxazine reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-05-27 US disclosed
EP-0053743-B1 REACTIVE DIOXAZINE DYESTUFFS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING AND PRINTING FIBROUS MATERIALS CONTAINING HYDROXYLE OR AMIDE GROUPS BAYER AG (DE) 1986-05-14 EP disclosed
US-4568350-A Cold pad-batch process for dyeing silk or silk-containing fiber blends with reactive dyes CIBA-GEIGY CORPORATION (US) 1986-02-04 US disclosed
US-4400504-A DYEING AND PRINTING CELLULOSE AND POLYAMIDE AND-URETHANE FIBERS; TRIAZINE, PYRIDINE AND PYRIMIDINE DYES BAYER AKTIENGESELLSCHAFT (DE) 1983-08-23 US disclosed
EP-0053743-A2 Reactive dioxazine dyestuffs, process for their preparation and their use in dyeing and printing fibrous materials containing hydroxyle or amide groups BAYER AG (DE) 1982-06-16 EP disclosed
US-4206306-A Reactive phthalocyanine dyestuffs containing a fluorotriazinyl group attached via a nitrogen bridge to the dyestuff molecule BAYER AKTIENGESELLSCHAFT (DE) 1980-06-03 US disclosed
US-4115378-A TEXTILES BAYER AKTIENGESELLSCHAFT (DE) 1978-09-19 US disclosed
US-3945989-A Fluoro triazine containing water insoluble azo dyestuff CIBA-GEIGY AG (CH) 1976-03-23 US disclosed