⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15980334 | 0.76 | — | — | |
| SCHEMBL15980330 | 0.59 | NPC1 (0.31) | — | |
| SCHEMBL24115655 | 0.57 | HKDC1 (0.32) | — | |
| SCHEMBL15980331 | 0.56 | — | — | |
| SCHEMBL15980323 | 0.56 | — | — | |
| SCHEMBL1120019 | 0.55 | HSP90AA1 (0.36) | — | |
| SCHEMBL15980326 | 0.55 | TYMS (0.31) | — | |
| SCHEMBL24850398 | 0.55 | — | — | |
| SCHEMBL19339183 | 0.55 | — | — | |
| SCHEMBL22454452 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3266764-B1 | POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, AND OPTICALLY ANISOTROPIC MATERIAL | ZEON CORP (JP) | 2019-01-09 | — | — | EP | disclosed |