⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19873083 | 0.79 | — | — | |
| SCHEMBL27002630 | 0.77 | — | — | |
| SCHEMBL28342062 | 0.73 | — | — | |
| SCHEMBL27752181 | 0.71 | RNPEP (0.30) | — | |
| SCHEMBL28341929 | 0.70 | — | — | |
| SCHEMBL331425 | 0.67 | — | — | |
| SCHEMBL890721 | 0.67 | ANPEP (0.33) | — | |
| SCHEMBL27002616 | 0.67 | — | — | |
| SCHEMBL891247 | 0.66 | — | — | |
| SCHEMBL28095419 | 0.66 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110643010-B | Isocyanate composition and optical resin prepared from same | 万华化学集团股份有限公司 | 2024-04-09 | — | — | CN | disclosed |
| CN-117801222-A | Cyclohexane dimethylene diisocyanate composition, modified composition, polyurethane resin and optical resin | 万华化学集团股份有限公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-113980238-B | Benzenedimethylene diisocyanate composition and preparation method and application thereof | 万华化学集团股份有限公司 | 2024-02-27 | — | — | CN | disclosed |
| CN-114031744-B | Bis (isocyanatomethyl) cyclohexane compositions, modified compositions thereof, and methods of making | 万华化学集团股份有限公司 | 2023-12-19 | — | — | CN | disclosed |
| CN-116970144-A | Xylylene diisocyanate composition and modified composition thereof, polyurethane resin and optical material | 万华化学集团股份有限公司 | 2023-10-31 | — | — | CN | disclosed |
| CN-115073707-B | Benzenedimethylene diisocyanate composition and preparation method and application thereof | 万华化学集团股份有限公司 | 2023-09-26 | — | — | CN | disclosed |