⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8007719 | 0.73 | — | — | |
| SCHEMBL18459775 | 0.67 | — | — | |
| SCHEMBL28582267 | 0.66 | POLB (0.31) | — | |
| SCHEMBL5127864 | 0.63 | ACE (0.51) | — | |
| SCHEMBL4885276 | 0.63 | ACE (0.51) | — | |
| Ammonia Solution, Strong SCHEMBL28949859 | 0.62 | — | — | |
| SCHEMBL27550278 | 0.62 | LMNA (0.32) | — | |
| SCHEMBL3379430 | 0.61 | — | — | |
| SCHEMBL297497 | 0.61 | — | — | |
| SCHEMBL16237513 | 0.58 | POLB (0.33) | — |
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-105175305-B | Optically active compounds and methods of synthesis and use | 哈尔滨工程大学 | 2017-10-03 | — | — | CN | disclosed |
| CN-105175305-A | Optically active N- (S) - ((N- (R) -1-phenylacetamide) -pyrrolidine) -acrylamide and synthesis and application methods thereof | UNIV HARBIN ENG | 2015-12-23 | — | — | CN | disclosed |