⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21259049 | 0.97 | MAPK1 (0.31) | — | |
| SCHEMBL9635571 | 0.82 | MAPK1 (0.31) | — | |
| SCHEMBL11370479 | 0.82 | — | — | |
| SCHEMBL9750727 | 0.80 | MAPK1 (0.31) | — | |
| SCHEMBL134615 | 0.78 | TSHR (0.36) | — | |
| SCHEMBL19795728 | 0.78 | — | — | |
| SCHEMBL9861566 | 0.78 | — | — | |
| SCHEMBL12924736 | 0.77 | — | — | |
| SCHEMBL9228295 | 0.76 | — | — | |
| SCHEMBL12340282 | 0.76 | MAPK1 (0.50) | — |
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-9295965-A | — | — | None | — | — | JP | disclosed |
| JP-H09295965-A | PEROXIDE, MATERIAL FOR MOLDING, AND METHOD OF PRODUCING MOLDED AND CURED PRODUCT FOR SYNTHETIC MARBLE USING THE SAME | KAYAKU AKZO KK | 1997-11-18 | — | — | JP | disclosed |