⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21291960 | 0.90 | — | — | |
| SCHEMBL331929 | 0.87 | — | — | |
| SCHEMBL18947368 | 0.85 | — | — | |
| SCHEMBL127070 | 0.83 | — | — | |
| SCHEMBL19616458 | 0.83 | — | — | |
| Hydrogen Sulfide SCHEMBL17010766 | 0.81 | — | — | |
| SCHEMBL28931193 | 0.81 | — | — | |
| SCHEMBL21624982 | 0.81 | — | — | |
| SCHEMBL21752070 | 0.79 | LMNA (0.35) | — | |
| SCHEMBL331047 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2407498-B1 | Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material | MITSUI CHEMICALS INC (JP) | 2017-11-15 | — | — | EP | claimed |
| CN-113444340-A | Resin composition | 味之素株式会社 | 2021-09-28 | — | — | CN | disclosed |
| WO-2010032365-A1 | POLYMERIZABLE COMPOUND FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND OPTICAL MATERIAL MANUFACTURING METHOD | 三井化学株式会社 (JP) | 2010-03-25 | — | — | WO | disclosed |