⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL623468 | 0.85 | — | — | |
| SCHEMBL9628789 | 0.76 | — | — | |
| SCHEMBL9198787 | 0.75 | — | — | |
| SCHEMBL2877088 | 0.73 | HRH4 (0.38) | — | |
| SCHEMBL28853 | 0.72 | HRH4 (0.41) | — | |
| SCHEMBL8938708 | 0.69 | — | — | |
| SCHEMBL9769163 | 0.65 | DAO (0.33) | — | |
| SCHEMBL9054528 | 0.63 | — | — | |
| SCHEMBL2648327 | 0.62 | CXCR4 (0.51) | — | |
| SCHEMBL9823955 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0431968-B1 | Oxetane derivatives, their preparation and their use as anti-fungal or fungicidal agents | SANKYO CO (JP) | 1995-03-15 | — | — | EP | disclosed |
| US-5134152-A | 1,2,4-Triazole compounds | SANKYO COMPANY, LIMITED (JP) | 1992-07-28 | — | — | US | disclosed |
| EP-0431968-A1 | Oxetane derivatives, their preparation and their use as anti-fungal or fungicidal agents | Sankyo Company Limited (JP) | 1991-06-12 | — | — | EP | disclosed |