⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2992156 | 1.00 | — | — | |
| SCHEMBL10015642 | 1.00 | — | — | |
| Iodide SCHEMBL10971629 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL10976929 | 0.97 | — | — | |
| SCHEMBL2666838 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL29608253 | 0.71 | NOS1 (0.56) | — | |
| SCHEMBL349778 | 0.71 | — | — | |
| SCHEMBL8267115 | 0.71 | — | — | |
| SCHEMBL23636307 | 0.69 | NOS1 (0.53) | — | |
| SCHEMBL28438500 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2614046-B1 | NOVEL GUANIDINE DERIVATIVES IN THE CINNAMIC SERIES | PROD CHIM AUXILIAIRES ET DE SYNTHESE (FR) | 2014-08-20 | — | — | EP | disclosed |