⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL331684 | 0.96 | — | — | |
| SCHEMBL12510523 | 0.77 | — | — | |
| SCHEMBL3414702 | 0.77 | — | — | |
| SCHEMBL22702390 | 0.77 | — | — | |
| SCHEMBL3456333 | 0.77 | — | — | |
| SCHEMBL23408575 | 0.77 | — | — | |
| SCHEMBL10198635 | 0.77 | — | — | |
| SCHEMBL19688005 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL3132197 | 0.73 | — | — | |
| SCHEMBL20282259 | 0.73 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117776939-A | Diamine containing cyclohexane and norbornane structure, preparation method and application thereof in preparation of transparent nylon | 万华化学集团股份有限公司 | 2024-03-29 | — | — | CN | disclosed |