SCHEMBL9435934

SCHEMBL9435934

Fc1nc(F)c(C(F)(F)F)c(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
SCHEMBL10635292 0.82
SCHEMBL10639089 0.77 HSP90AA1 (0.37)
SCHEMBL10635259 0.71 ALDH1A1 (0.32)
SCHEMBL10746005 0.69 KDM5B (0.32)
SCHEMBL1437045 0.69 MEN1 (0.39)
SCHEMBL9625901 0.67 CA2 (0.36)
SCHEMBL10583927 0.66 ENPP3 (0.33)
SCHEMBL9483455 0.66 ENPP3 (0.30)
SCHEMBL10635090 0.66 HSP90AA1 (0.33)
SCHEMBL5675318 0.65 MEN1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5319074-A Colorfast dyes for cellulose and polyamides BAYER AKTIENGESELLSCHAFT (DE) 1994-06-07 US disclosed
US-5241057-A Blue shades BAYER AKTIENGESELLSHAFT (DE) 1993-08-31 US disclosed
EP-0497174-A1 Bifunctional reactive dyes containing vinylsulfone/pyrimidine groups BAYER AG (DE) 1992-08-05 EP disclosed
EP-0321784-B1 FORMAZANE DYES CONTAINING HEAVY METALS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING AND PRINTING FIBROUS MATERIALS BAYER AG (DE) 1992-03-18 EP disclosed
EP-0235729-B1 REACTIVE DYES BAYER AG (DE) 1990-12-19 EP disclosed
EP-0255890-B1 PROCESS FOR THE REACTION OF AMINES WITH HETEROCYCLIC REACTIVE COMPOUNDS BAYER AG (DE) 1990-08-29 EP disclosed
EP-0321784-A2 Formazane dyes containing heavy metals, process for their preparation and their use in dyeing and printing fibrous materials BAYER AG (DE) 1989-06-28 EP disclosed
US-4841030-A Azo reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed
EP-0186812-B1 REACTIVE DYES BAYER AG (DE) 1989-01-25 EP disclosed
EP-0151792-B1 REACTION OF AMINES WITH HETEROCYCLIC REACTIVE COMPOUNDS BAYER AG (DE) 1988-11-30 EP disclosed
US-4126609-A AZO DYESTUFF WITH A FIBER-REACTIVE GROUP ATTACHED TO A NAPHTHALENE SULPHONIC ACID COMPONENT BAYER AKTIENGESELLSCHAFT (DE) 1978-11-21 US disclosed
US-4118382-A DYES FOR CELLULOSE, WOOL, SILK, POLYAMIDE, AND POLYURETHANE FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-4089895-A COUPLER FOR AZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1978-05-16 US disclosed
US-4065446-A Reactive dyestuffs containing urea alkylene linkage between chromophore and reactive radical BAYER AKTIENGESELLSCHAFT (DT) 1977-12-27 US disclosed
US-4052386-A REACTIVE PHTHALOCYANINE DYESTUFFS CONTAINING A FLUOROPYRIMIDINYL GROUP BAYER AKTIENGESELLSCHAFT (DT) 1977-10-04 US disclosed
US-4049704-A AZO REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-09-20 US disclosed
US-4024123-A TEXTILES DUSSY PAUL 1977-05-17 US disclosed
US-3989692-A PHTHALOCYANINE DYES, WOOL, SILK, POLYAMIDES, CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 US disclosed
US-3988310-A FIBER-REACTIVE DYES; CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-10-26 US disclosed
US-3957751-A WATER-SOLUBLE REACTIVE DYESTUFFS OF THE MONOAZO SERIES CONTAINING AN ACTIVE METHYLENE COUPLING COMPONENT HOECHST AKTIENGESELLSCHAFT (DT) 1976-05-18 US disclosed