⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL459597 | 0.94 | — | — | |
| SCHEMBL28931193 | 0.79 | — | — | |
| SCHEMBL635963 | 0.78 | — | — | |
| SCHEMBL170451 | 0.78 | — | — | |
| SCHEMBL21752072 | 0.78 | — | — | |
| SCHEMBL25422393 | 0.78 | — | — | |
| SCHEMBL31599455 | 0.78 | — | — | |
| SCHEMBL23441676 | 0.78 | — | — | |
| SCHEMBL16225973 | 0.78 | — | — | |
| SCHEMBL19114129 | 0.77 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116554434-A | Diisocyanate composition for optical lenses and method for preparing the same | SKC株式会社 | 2023-08-08 | — | — | CN | disclosed |
| CN-112920082-B | Diisocyanate composition, method for preparing the same, and optical material using the same | SKC株式会社 | 2023-06-23 | — | — | CN | disclosed |
| CN-112920374-B | Diisocyanate composition for optical lenses and method for preparing the same | SKC株式会社 | 2023-05-30 | — | — | CN | disclosed |
| CN-112920375-B | Method for preparing diisocyanate composition and optical lens | SKC株式会社 | 2023-05-12 | — | — | CN | disclosed |
| CN-112920373-B | Diisocyanate composition, method for preparing the same, and optical material using the same | SKC株式会社 | 2023-05-12 | — | — | CN | disclosed |
| CN-112920372-B | Method for preparing diisocyanate composition and optical lens | SKC株式会社 | 2023-05-12 | — | — | CN | disclosed |
| CN-112920371-B | Process for preparing diisocyanate compositions | SKC株式会社 | 2023-05-12 | — | — | CN | disclosed |
| CN-112920370-B | Method for preparing diisocyanate composition and optical lens | SKC株式会社 | 2023-05-12 | — | — | CN | disclosed |