SCHEMBL16787443

SCHEMBL16787443

CS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3c(Cl)cncc32)cc2cc(Cl)ccc21

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
SCHEMBL16787445 0.93
SCHEMBL16787446 0.88 CTSS (0.37)
SCHEMBL9940484 0.87 CYP3A4 (0.46)
SCHEMBL15551802 0.86 CYP3A4 (0.44)
SCHEMBL16766849 0.83
SCHEMBL9974858 0.82 CTSS (0.44)
SCHEMBL15552245 0.80
SCHEMBL16557133 0.80
SCHEMBL15552926 0.80
SCHEMBL16819105 0.79 CYP3A4 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS ALIOS BIOPHARMA, INC. 2016-02-18 US disclosed
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS ALIOS BIOPHARMA, INC. 2016-02-18 US disclosed
WO-2016022464-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS ALIOS BIOPHARMA, INC. (US) 2016-02-11 WO disclosed
US-20150158862-A1 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (US) 2015-06-11 US disclosed
US-20150158862-A1 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (US) 2015-06-11 US disclosed