⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25807319 | 0.96 | — | — | |
| SCHEMBL25865422 | 0.94 | — | — | |
| SCHEMBL15360498 | 0.88 | — | — | |
| SCHEMBL15360420 | 0.87 | — | — | |
| SCHEMBL25807332 | 0.85 | — | — | |
| SCHEMBL19616458 | 0.85 | — | — | |
| SCHEMBL21624982 | 0.83 | — | — | |
| Hydrogen Sulfide SCHEMBL17010766 | 0.83 | — | — | |
| SCHEMBL25422393 | 0.83 | — | — | |
| SCHEMBL170451 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020022369-A1 | METHOD FOR SETTING POLYMERIZATION CONDITIONS AND METHOD FOR PRODUCING OPTICAL MATERIAL | 三井化学株式会社 | 2020-01-30 | — | — | WO | disclosed |
| US-20190202968-A1 | POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL | SK PUCORE CO., LTD. (KR) | 2019-07-04 | — | — | US | disclosed |