⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28108224 | 0.73 | — | — | |
| SCHEMBL8518389 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL14432049 | 0.66 | GPBAR1 (0.31) | — | |
| SCHEMBL7219873 | 0.64 | — | — | |
| SCHEMBL20416207 | 0.64 | — | — | |
| SCHEMBL15107345 | 0.62 | GPBAR1 (0.33) | — | |
| SCHEMBL19191182 | 0.62 | — | — | |
| SCHEMBL16102582 | 0.62 | — | — | |
| SCHEMBL19193095 | 0.61 | TRPA1 (0.41) | — | |
| SCHEMBL25668199 | 0.61 | TRPA1 (0.41) | — |
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-114835588-B | Method for preparing dicyanoethyl alicyclic amine through hydrogenation | 万华化学集团股份有限公司 | 2023-05-26 | — | — | CN | disclosed |