⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL320259 | 0.76 | — | — | |
| SCHEMBL320260 | 0.76 | — | — | |
| SCHEMBL24376231 | 0.71 | — | — | |
| SCHEMBL21017074 | 0.71 | — | — | |
| SCHEMBL22138695 | 0.70 | — | — | |
| SCHEMBL608202 | 0.69 | — | — | |
| SCHEMBL9718159 | 0.69 | — | — | |
| SCHEMBL9718158 | 0.69 | — | — | |
| SCHEMBL14088393 | 0.68 | TDP1 (0.36) | — | |
| SCHEMBL19984591 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023100839-A1 | CURABLE COMPOSITION, CURED PRODUCT AND CURING CATALYST FOR BLOCKED ISOCYANATE COMPOUND | 広栄化学株式会社 | 2023-06-08 | — | — | WO | disclosed |