⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27978544 | 1.00 | — | — | |
| SCHEMBL2370498 | 0.89 | EPHX1 (0.34) | — | |
| SCHEMBL4537919 | 0.77 | APLNR (0.35) | — | |
| SCHEMBL17318311 | 0.73 | EPHX1 (0.32) | — | |
| SCHEMBL7598377 | 0.71 | — | — | |
| SCHEMBL4541929 | 0.70 | KEAP1 (0.31) | — | |
| SCHEMBL10580576 | 0.62 | — | — | |
| SCHEMBL1095074 | 0.62 | — | — | |
| SCHEMBL6674670 | 0.60 | — | — | |
| SCHEMBL958745 | 0.60 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2775841-A1 | QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | Merck Sharp & Dohme Corp. (US) | 2014-09-17 | — | — | EP | disclosed |
| WO-2013066736-A1 | QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2013-05-10 | — | — | WO | disclosed |
| WO-2010132015-A1 | NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE | ASTRAZENECA AB (SE) | 2010-11-18 | — | — | WO | disclosed |
| EP-1966183-A1 | HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | Merck Frosst Canada Ltd. (CA) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007071023-A1 | HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2007-06-28 | — | — | WO | disclosed |
| CN-1190390-A | Nitric oxide synthase inhibitors derived from cyclic amidines | SEARLE & CO (US) | 1998-08-12 | — | — | CN | disclosed |
| EP-0824523-A1 | NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES | G.D. Searle & Co. (US) | 1998-02-25 | — | — | EP | disclosed |
| WO-1996035677-A1 | NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES | G.D. SEARLE & CO. (US) | 1996-11-14 | — | — | WO | disclosed |