⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15254360 | 0.73 | — | — | |
| SCHEMBL16872230 | 0.71 | — | — | |
| SCHEMBL13707653 | 0.64 | FAAH (0.32) | — | |
| SCHEMBL28569556 | 0.64 | — | — | |
| SCHEMBL28394355 | 0.64 | — | — | |
| SCHEMBL6100800 | 0.60 | — | — | |
| SCHEMBL8119478 | 0.60 | — | — | |
| SCHEMBL9670422 | 0.59 | — | — | |
| SCHEMBL12150375 | 0.58 | — | — | |
| SCHEMBL28947256 | 0.57 | — | — |
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-112920084-B | Diamine composition and process for preparing diisocyanate composition | SKC株式会社 | 2023-01-17 | — | — | CN | disclosed |
| CN-114634612-A | Xylylene diisocyanate composition having improved stability and reactivity and optical lens using the same | SKC株式会社 | 2022-06-17 | — | — | CN | disclosed |
| CN-108689883-B | Isocyanate composition for optical lens and preparation method thereof | SKC株式会社 | 2021-08-13 | — | — | CN | disclosed |