⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12395673 | 0.71 | — | — | |
| SCHEMBL17170616 | 0.69 | — | — | |
| SCHEMBL13040601 | 0.65 | — | — | |
| SCHEMBL12409012 | 0.63 | — | — | |
| SCHEMBL3615019 | 0.62 | — | — | |
| SCHEMBL4582272 | 0.62 | — | — | |
| SCHEMBL1434436 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL13733392 | 0.61 | — | — | |
| SCHEMBL16111301 | 0.57 | — | — | |
| SCHEMBL12256561 | 0.56 | — | — |
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-9303045-B2 | 5-HT3 receptor antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-04-05 | — | — | US | disclosed |
| US-20150291624-A1 | 5-HT3 RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-10-15 | — | — | US | disclosed |