⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10814469 | 0.82 | — | — | |
| SCHEMBL31624254 | 0.78 | — | — | |
| SCHEMBL7476465 | 0.78 | — | — | |
| SCHEMBL19303005 | 0.78 | GGPS1 (0.41) | — | |
| SCHEMBL17167327 | 0.75 | GGPS1 (0.52) | — | |
| SCHEMBL22280152 | 0.74 | PTGS2 (0.34) | — | |
| SCHEMBL24526894 | 0.73 | — | — | |
| SCHEMBL17239537 | 0.73 | — | — | |
| SCHEMBL11314974 | 0.73 | — | — | |
| SCHEMBL22621402 | 0.72 | PTGS2 (0.58) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3220910-A1 | AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | Merck Sharp & Dohme Corp. (US) | 2017-09-27 | — | — | EP | disclosed |
| WO-2016081290-A1 | AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME CORP. (US) | 2016-05-26 | — | — | WO | disclosed |