⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL102205 | 0.72 | — | — | |
| SCHEMBL29382753 | 0.72 | — | — | |
| SCHEMBL415945 | 0.71 | — | — | |
| SCHEMBL29362784 | 0.71 | — | — | |
| Formaldehyde SCHEMBL29240890 | 0.67 | FDFT1 (0.39) | — | |
| SCHEMBL16114306 | 0.67 | — | — | |
| SCHEMBL320838 | 0.67 | — | — | |
| SCHEMBL103719 | 0.67 | — | — | |
| SCHEMBL2642791 | 0.67 | — | — | |
| SCHEMBL1118715 | 0.67 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2922850-B1 | COMPOUNDS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS INC (US) | 2018-07-18 | — | — | EP | disclosed |
| WO-2017048950-A1 | HEPATITIS B CORE PROTEIN MODULATORS | ASSEMBLY BIOSCIENCES, INC. (US) | 2017-03-23 | — | — | WO | disclosed |
| US-9567326-B2 | Pyrimidine compounds for the treatment of cancer | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2017-02-14 | — | — | US | disclosed |
| WO-2014079150-A1 | COMPOUNDS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2014-05-30 | — | — | WO | disclosed |
| EP-2507234-B1 | IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS | NOVARTIS AG (CH) | 2014-03-12 | — | — | EP | disclosed |
| EP-2548874-A2 | Substituted piperazines as CB1 antagonists | Intervet International B.V. (NL) | 2013-01-23 | — | — | EP | disclosed |
| WO-2010124055-A1 | 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2010-10-28 | — | — | WO | disclosed |
| WO-2008115369-A2 | INHIBITORS OF FOCAL ADHESION KINASE | THE SCRIPPS RESEARCH INSTITUTE (US) | 2008-09-25 | — | — | WO | disclosed |
| WO-2007075749-A2 | NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK & CO., INC. (US) | 2007-07-05 | — | — | WO | disclosed |