⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9483208 | 0.74 | — | — | |
| SCHEMBL22730593 | 0.74 | — | — | |
| SCHEMBL22019223 | 0.72 | — | — | |
| SCHEMBL13809980 | 0.72 | — | — | |
| SCHEMBL1604438 | 0.72 | — | — | |
| SCHEMBL15607938 | 0.72 | — | — | |
| SCHEMBL21556974 | 0.70 | — | — | |
| SCHEMBL6773240 | 0.70 | — | — | |
| SCHEMBL22126991 | 0.69 | CYP2D6 (0.32) | — | |
| SCHEMBL18751250 | 0.69 | MEN1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020239096-A1 | ANTIBACTERIAL AMINOGLYCOSIDE DERIVATIVES | 南京明德新药研发有限公司 | 2020-12-03 | — | — | WO | disclosed |
| US-8138350-B2 | N′-cyano-N-halogenalkylimidamide derivatives | BAYER CROPSCIENCE AG (DE) | 2012-03-20 | — | — | US | disclosed |
| US-20100048646-A1 | N'-Cyano-N-Halogenalkylimidamide Derivatives | BAYER CROPSCIENCE AG (DE) | 2010-02-25 | — | — | US | disclosed |