⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL830120 | 0.75 | — | — | |
| SCHEMBL12547362 | 0.73 | — | — | |
| SCHEMBL12546915 | 0.73 | — | — | |
| SCHEMBL830188 | 0.72 | NOS3 (0.33) | — | |
| SCHEMBL9912308 | 0.70 | — | — | |
| SCHEMBL12547392 | 0.70 | MEN1 (0.34) | — | |
| SCHEMBL16269875 | 0.69 | HRH1 (0.44) | — | |
| SCHEMBL25195422 | 0.67 | — | — | |
| SCHEMBL25210697 | 0.67 | TP53 (0.36) | — | |
| SCHEMBL2629415 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017050751-A1 | PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS | SYNGENTA PARTICIPATIONS AG (CH) | 2017-03-30 | — | — | WO | disclosed |
| US-8962825-B2 | Hydroxamates as inhibitors of histone deacetylase | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2015-02-24 | — | — | US | disclosed |
| US-20130079325-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS | ALLEN JENNIFER R (US) | 2013-03-28 | — | — | US | disclosed |
| US-20100160280-A1 | AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS | AMGEN INC. (US) | 2010-06-24 | — | — | US | disclosed |