⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2107162 | 0.82 | — | — | |
| SCHEMBL8206205 | 0.78 | — | — | |
| SCHEMBL8402741 | 0.76 | TDP1 (0.32) | — | |
| SCHEMBL11567519 | 0.76 | TDP1 (0.38) | — | |
| SCHEMBL10836938 | 0.76 | — | — | |
| SCHEMBL10496893 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL734755 | 0.72 | PRSS1 (0.34) | — | |
| SCHEMBL432351 | 0.71 | — | — | |
| SCHEMBL815076 | 0.71 | NOS1 (0.37) | — | |
| SCHEMBL10772947 | 0.71 | TDP1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080027094-A1 | Tropane Compounds and Pharmaceutical Compositions Comprising the Same as an Active Ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2008-01-31 | — | — | US | disclosed |
| EP-1785421-A1 | TROPAN COMPOUND | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-05-16 | — | — | EP | disclosed |