⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1451651 | 0.67 | LMNA (0.46) | — | |
| SCHEMBL541057 | 0.64 | — | — | |
| SCHEMBL18433353 | 0.64 | DAO (0.47) | — | |
| SCHEMBL27600079 | 0.62 | MMP1 (0.51) | — | |
| SCHEMBL28748414 | 0.62 | CES2 (0.43) | — | |
| SCHEMBL3892842 | 0.62 | MMP1 (0.51) | — | |
| SCHEMBL27471072 | 0.62 | MMP1 (0.51) | — | |
| SCHEMBL6642025 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL28790905 | 0.62 | MMP1 (0.51) | — | |
| SCHEMBL27618623 | 0.62 | MMP1 (0.51) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1287117-A | Cyclobutene derivatives, preparation method and therapeutic use thereof | SANKYO CO (JP) | 2001-03-14 | — | — | CN | disclosed |
| EP-1070703-A1 | Cyclobutene derivatives | Sankyo Company Limited (JP) | 2001-01-24 | — | — | EP | disclosed |