⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16885286 | 0.85 | SLC6A4 (0.30) | — | |
| SCHEMBL11905297 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL12543858 | 0.80 | — | — | |
| SCHEMBL1129505 | 0.79 | CYP2C19 (0.31) | — | |
| SCHEMBL5614237 | 0.76 | — | — | |
| SCHEMBL10021005 | 0.74 | — | — | |
| SCHEMBL17834118 | 0.72 | CYP2C19 (0.31) | — | |
| SCHEMBL313906 | 0.72 | CYP2C19 (0.31) | — | |
| SCHEMBL7126497 | 0.71 | — | — | |
| SCHEMBL15609483 | 0.71 | — | — |
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-10836718-B2 | Process for preparing astacene | BASF SE (DE) | 2020-11-17 | — | — | US | disclosed |
| EP-3544955-A1 | IMPROVED PROCESS FOR PREPARING ASTACENE | BASF SE (DE) | 2019-10-02 | — | — | EP | disclosed |
| US-20190292147-A1 | IMPROVED PROCESS FOR PREPARING ASTACENE | BASF SE (DE) | 2019-09-26 | — | — | US | disclosed |
| WO-2018095863-A1 | IMPROVED PROCESS FOR PREPARING ASTACENE | BASF SE (DE) | 2018-05-31 | — | — | WO | disclosed |