⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17735934 | 0.67 | — | — | |
| SCHEMBL5494641 | 0.65 | — | — | |
| SCHEMBL12462579 | 0.65 | — | — | |
| SCHEMBL13894774 | 0.61 | — | — | |
| SCHEMBL13788205 | 0.59 | — | — | |
| SCHEMBL2795296 | 0.58 | — | — | |
| SCHEMBL14233214 | 0.58 | — | — | |
| SCHEMBL547851 | 0.57 | — | — | |
| SCHEMBL11324609 | 0.57 | — | — | |
| SCHEMBL487409 | 0.57 | — | — |
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-7348290-B2 | Ring-opening or closing metathesis reaction of olefin; reduction of carbonyl compound, catalysis, complexing; cyclization, reduction | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2008-03-25 | — | — | US | disclosed |
| WO-2007072507-A2 | POLYMORPHIC FORMS OF DOLASETRON BASE AND PROCESSES OF PREPARING DOLASETRON BASE, ITS POLYMORPHIC FORMS AND SALT THEREOF | USV LIMITED (IN) | 2007-06-28 | — | — | WO | disclosed |