⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21170472 | 0.73 | — | — | |
| SCHEMBL6503436 | 0.71 | — | — | |
| SCHEMBL3127254 | 0.70 | — | — | |
| SCHEMBL27542316 | 0.70 | — | — | |
| SCHEMBL28518951 | 0.68 | — | — | |
| SCHEMBL17887810 | 0.67 | — | — | |
| SCHEMBL23034929 | 0.65 | — | — | |
| SCHEMBL21779714 | 0.65 | — | — | |
| SCHEMBL8315472 | 0.65 | — | — | |
| Trimethylammonium SCHEMBL27701357 | 0.65 | TSHR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100048539-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | IRM LLC (BM) | 2010-02-25 | — | — | US | claimed |
| EP-2079729-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | IRM LLC (BM) | 2009-07-22 | — | — | EP | claimed |
| WO-2008058037-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | IRM LLC (BM) | 2008-05-15 | — | — | WO | claimed |
| US-20100048539-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | IRM LLC (BM) | 2010-02-25 | — | — | US | disclosed |