⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1548563 | 0.82 | — | — | |
| SCHEMBL1402721 | 0.82 | — | — | |
| SCHEMBL1413270 | 0.77 | — | — | |
| SCHEMBL1402834 | 0.77 | — | — | |
| SCHEMBL1402908 | 0.73 | — | — | |
| SCHEMBL1402767 | 0.73 | — | — | |
| SCHEMBL21409487 | 0.73 | — | — | |
| SCHEMBL1402549 | 0.73 | — | — | |
| SCHEMBL17352904 | 0.71 | — | — | |
| SCHEMBL1413312 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111868099-B | Method for setting polymerization conditions and method for producing optical material | 三井化学株式会社 | 2022-12-16 | — | — | CN | disclosed |
| 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 |
| WO-2019187176-A1 | METHOD FOR SETTING POLYMERIZATION CONDITIONS AND METHOD FOR PRODUCING OPTICAL MATERIAL | 三井化学株式会社 | 2019-10-03 | — | — | WO | disclosed |