⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6352199 | 1.00 | — | — | |
| Carbamic Acid SCHEMBL28262773 | 0.83 | ACHE (0.37) | — | |
| SCHEMBL13236563 | 0.72 | — | — | |
| SCHEMBL5514033 | 0.69 | — | — | |
| SCHEMBL726780 | 0.69 | — | — | |
| SCHEMBL16162693 | 0.69 | — | — | |
| SCHEMBL6361146 | 0.69 | — | — | |
| SCHEMBL7638172 | 0.69 | — | — | |
| SCHEMBL12656351 | 0.69 | — | — | |
| SCHEMBL14616103 | 0.69 | — | — |
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-110709385-A | Haloallylamine pyrazole derivative inhibitors of lysyl oxidase and uses thereof | 法玛西斯有限公司 | 2020-01-17 | — | — | CN | disclosed |
| CN-101917845-A | Haloallylamine inhibitors of SSAO/VAP-1 and uses therefor | PHARMAXIS LTD | 2010-12-15 | — | — | CN | disclosed |