⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1613878 | 0.73 | — | — | |
| SCHEMBL1613694 | 0.73 | ALOX5 (0.30) | — | |
| SCHEMBL1613875 | 0.73 | MAP3K14 (0.33) | — | |
| SCHEMBL16505653 | 0.73 | MAP3K14 (0.33) | — | |
| SCHEMBL1614132 | 0.72 | KDM4E (0.32) | — | |
| SCHEMBL1613671 | 0.71 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL13561292 | 0.66 | PIK3CG (0.40) | — | |
| SCHEMBL1613054 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL1614093 | 0.65 | PDE4A (0.35) | — | |
| SCHEMBL1614100 | 0.64 | USP2 (0.38) | — |
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-2315751-A1 | ALKYNYL ALCOHOLS AS KINASE INHIBITORS | Amgen Inc. (US) | 2011-05-04 | — | — | EP | disclosed |
| US-20110086834-A1 | ALKYNYL ALCOHOLS AS KINASE INHIBITORS | AMGEN INC. (US) | 2011-04-14 | — | — | US | disclosed |