⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13831491 | 0.82 | OPRM1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL29056845 | 0.80 | OPRM1 (0.32) | — | |
| SCHEMBL30265905 | 0.76 | — | — | |
| SCHEMBL26043857 | 0.69 | — | — | |
| SCHEMBL22926564 | 0.69 | — | — | |
| SCHEMBL26043850 | 0.69 | — | — | |
| SCHEMBL2738146 | 0.69 | — | — | |
| SCHEMBL22481504 | 0.69 | — | — | |
| SCHEMBL19801483 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL22032481 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117551025-A | Preparation method of 4, 4-dicyano-2-alkyl-pyrrolidine-2-carboxylic ester derivative | 华北水利水电大学 | 2024-02-13 | — | — | CN | disclosed |
| CN-117551025-A | Preparation method of 4, 4-dicyano-2-alkyl-pyrrolidine-2-carboxylic ester derivative | 华北水利水电大学 | 2024-02-13 | — | — | CN | disclosed |