⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL209505 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL14763821 | 0.78 | — | — | |
| SCHEMBL4157177 | 0.64 | — | — | |
| SCHEMBL19610207 | 0.63 | — | — | |
| SCHEMBL3576495 | 0.63 | — | — | |
| SCHEMBL29102107 | 0.63 | — | — | |
| SCHEMBL3581355 | 0.60 | — | — | |
| SCHEMBL208780 | 0.60 | — | — | |
| SCHEMBL6522408 | 0.58 | — | — | |
| SCHEMBL25107532 | 0.57 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2956135-A1 | HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS& xA; | Actelion Pharmaceuticals Ltd. (CH) | 2015-12-23 | — | — | EP | disclosed |
| WO-2014115072-A1 | HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2014-07-31 | — | — | WO | disclosed |
| WO-2013157651-A1 | PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-10-24 | — | — | WO | disclosed |