⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2007584 | 0.69 | — | — | |
| SCHEMBL1402185 | 0.69 | — | — | |
| SCHEMBL3459311 | 0.69 | NOS3 (0.36) | — | |
| SCHEMBL129884 | 0.68 | — | — | |
| SCHEMBL10268906 | 0.68 | — | — | |
| SCHEMBL2041552 | 0.67 | — | — | |
| SCHEMBL16233600 | 0.67 | NOS3 (0.34) | — | |
| SCHEMBL16233601 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL3882447 | 0.67 | — | — | |
| SCHEMBL13186264 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109641871-A | AMINOPYRIDINE DERIVATIVES AND THEIR USE AS SELECTIVE ALK-2 INHIBITORS | 诺华股份有限公司 | 2019-04-16 | — | — | CN | disclosed |
| EP-1896557-A1 | FLAVOR AND FRAGRANCE COMPOSITION | Takasago International Corporation (JP) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006137556-A1 | FLAVOR AND FRAGRANCE COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2006-12-28 | — | — | WO | disclosed |