⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14656077 | 0.65 | KDM4E (0.37) | — | |
| SCHEMBL3625247 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL8605018 | 0.57 | — | — | |
| SCHEMBL4352619 | 0.56 | — | — | |
| SCHEMBL4348512 | 0.56 | — | — | |
| SCHEMBL4348515 | 0.56 | — | — | |
| SCHEMBL4352623 | 0.56 | — | — | |
| SCHEMBL19526544 | 0.51 | — | — | |
| SCHEMBL5150174 | 0.50 | — | — | |
| SCHEMBL4791804 | 0.50 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2004517927-A | — | — | 2004-06-17 | — | — | JP | claimed |
| EP-1345929-A2 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-09-24 | — | — | EP | claimed |
| WO-2002059112-A2 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-08-01 | — | — | WO | claimed |
| EP-1551832-A1 | 8-AZABICYCLO[3.2.1]OCTANE ETHER DERIVATIVES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004031185-A1 | 8-AZABICYCLO[3.2.1]OCTANE ETHER DERIVATIVES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2004-04-15 | — | — | WO | disclosed |
| WO-1995006642-A1 | MALODINITRIL-SUBSTITUTED 1,3,5-TRIAZIN-DIAMINES WITH HERBICIDAL ACTIVITY | BAYER AKTIENGESELLSCHAFT (DE) | 1995-03-09 | — | — | WO | disclosed |