⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8763461 | 0.84 | PKM (0.33) | — | |
| SCHEMBL1768114 | 0.79 | POLB (0.32) | — | |
| SCHEMBL22871245 | 0.78 | PKM (0.30) | — | |
| SCHEMBL14445602 | 0.75 | — | — | |
| SCHEMBL14607899 | 0.75 | — | — | |
| SCHEMBL12652276 | 0.75 | — | — | |
| SCHEMBL14043523 | 0.75 | — | — | |
| SCHEMBL12282995 | 0.75 | — | — | |
| SCHEMBL9318864 | 0.74 | — | — | |
| SCHEMBL21141771 | 0.71 | ADH1B (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4524152-A | 1-Cyano-3-(fluoroalkyl)guanidines for lowering blood pressure | PENNWALT CORPORATION (US) | 1985-06-18 | — | — | US | disclosed |
| EP-0114950-A1 | 1-Cyano-3-(fluoralkyl)guanidines | PENNWALT CORPORATION (US) | 1984-08-08 | — | — | EP | disclosed |