⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15723869 | 0.83 | CA2 (0.34) | — | |
| SCHEMBL18256808 | 0.72 | INMT (0.32) | — | |
| SCHEMBL839876 | 0.67 | NOTUM (0.31) | — | |
| SCHEMBL28276651 | 0.63 | — | — | |
| SCHEMBL20273002 | 0.63 | — | — | |
| SCHEMBL16656517 | 0.63 | — | — | |
| SCHEMBL14706850 | 0.61 | PTPN5 (0.47) | — | |
| SCHEMBL22276424 | 0.60 | SLC6A4 (0.32) | — | |
| SCHEMBL13436378 | 0.60 | TP53 (0.33) | — | |
| SCHEMBL16854832 | 0.59 | DYRK1A (0.35) | — |
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-20160340322-A1 | SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2016-11-24 | — | — | US | disclosed |
| EP-3085695-A1 | SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR | Nissan Chemical Industries, Ltd. (JP) | 2016-10-26 | — | — | EP | disclosed |