SCHEMBL2614501

SCHEMBL2614501

[C-]#[N+]c1cncc(C)c1

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
SCHEMBL24225 0.73 — —
SCHEMBL13040178 0.71 — —
SCHEMBL7857598 0.71 — —
SCHEMBL999206 0.71 ALDH1A1 (0.40) —
SCHEMBL13312950 0.71 ALDH1A1 (0.33) —
SCHEMBL29735836 0.70 — —
SCHEMBL29245410 0.70 HCAR2 (0.50) —
Bromide SCHEMBL5328785 0.70 HCAR2 (0.50) —
SCHEMBL28357962 0.70 — —
Hydrochloric Acid SCHEMBL29735986 0.70 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2023-07-25 — — US disclosed
US-20230212160-A1 2,4,6-TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AS ATR KINASE INHIBITORS BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 — — US disclosed
US-9567333-B2 Triazolopyridyl compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-02-14 — — US disclosed
US-20160039817-A1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2016-02-11 — — US disclosed
US-9193724-B2 Triazolopyridyl compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-11-24 — — US disclosed
US-20140228396-A1 TRIAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 — — US disclosed
US-20120095012-A1 TOLUIDINE SULFONAMIDES AND THEIR USE ELARA PHARMACEUTICALS GMBH (DE) 2012-04-19 — — US disclosed
US-7947834-B2 Substituted quinoxalines, their preparation and their therapeutical use as 11βHSD1 modulators SANOFI-AVENTIS (FR) 2011-05-24 — — US disclosed
US-20090176775-A1 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE SANOFI-AVENTIS (FR) 2009-07-09 — — US disclosed
US-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 — — US disclosed
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