⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9215956 | 1.00 | — | — | |
| SCHEMBL9366044 | 0.73 | — | — | |
| SCHEMBL13292025 | 0.73 | — | — | |
| SCHEMBL16479514 | 0.73 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL1445976 | 0.72 | — | — | |
| SCHEMBL9551948 | 0.71 | — | — | |
| SCHEMBL7568889 | 0.71 | — | — | |
| SCHEMBL8736293 | 0.71 | — | — | |
| SCHEMBL12579990 | 0.71 | — | — | |
| SCHEMBL4105257 | 0.71 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-7145093-A | — | — | None | — | — | JP | disclosed |
| JP-H07145093-A | PRODUCTION OF SYNTHETIC INTERMEDIATE OF VITAMIN DERIVATIVE | SUMITOMO PHARMACEUT CO LTD | 1995-06-06 | — | — | JP | disclosed |