SCHEMBL5174359

SCHEMBL5174359

Cc1cc(N)cn1C

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
SCHEMBL12641998 0.72 ALDH1A1 (0.46)
SCHEMBL5172921 0.70
SCHEMBL5154129 0.70
SCHEMBL13246673 0.67
SCHEMBL28223511 0.67 AURKA (0.52)
SCHEMBL13841339 0.67
SCHEMBL19650299 0.67
SCHEMBL6130558 0.65
SCHEMBL4887163 0.65
SCHEMBL648740 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-20230285569-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF FRAGILE X Design Therapeutics, Inc. 2023-09-14 US disclosed
US-20230149550-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-05-18 US disclosed
US-20180170964-A1 Novel Peptides and Analogs for Use in the Treatment of Oral Mucositis SOLIGENIX, INC. 2018-06-21 US disclosed
EP-3100745-B1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2018-04-18 EP disclosed
US-9850279-B2 Peptides and analogs for use in the treatment of oral mucositis SOLIGENIX, INC. (US) 2017-12-26 US disclosed
US-20160229890-A1 Novel Peptides and Analogs for Use in the Treatment of Oral Mucositis SOLIGENIX, INC. 2016-08-11 US disclosed
US-7449547-B2 Process for the synthesis of distamycin and derivatives thereof using 1-methyl-4-formylamino-2-pyrrolecarbonyl chloride iteratively as an intermediate NAXOPHARMA S.R.L. (IT) 2008-11-11 US disclosed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 WO disclosed