⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17170657 | 0.79 | HTR3A (0.30) | — | |
| SCHEMBL19969855 | 0.75 | HTR3A (0.31) | — | |
| SCHEMBL15440840 | 0.75 | — | — | |
| SCHEMBL15420987 | 0.74 | HTR3A (0.37) | — | |
| SCHEMBL15420986 | 0.74 | HTR3A (0.37) | — | |
| SCHEMBL15444631 | 0.74 | HTR3A (0.34) | — | |
| SCHEMBL31065749 | 0.71 | MEN1 (0.31) | — | |
| SCHEMBL15444767 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL17163498 | 0.67 | HTR3A (0.31) | — | |
| SCHEMBL17163497 | 0.67 | HTR3A (0.31) | — |
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-9695195-B2 | 5-HT3 receptor antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-07-04 | — | — | US | disclosed |
| US-20160185801-A1 | 5-HT3 RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICAL (JP) | 2016-06-30 | — | — | US | disclosed |
| 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 |