⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7310056 | 1.00 | — | — | |
| SCHEMBL11829929 | 0.75 | — | — | |
| SCHEMBL11787809 | 0.73 | — | — | |
| SCHEMBL31315650 | 0.72 | — | — | |
| SCHEMBL11832631 | 0.69 | HIF1A (0.32) | — | |
| SCHEMBL28173717 | 0.66 | KDM4E (0.38) | — | |
| SCHEMBL9161224 | 0.65 | — | — | |
| SCHEMBL1017667 | 0.62 | — | — | |
| SCHEMBL18834743 | 0.61 | — | — | |
| SCHEMBL9166500 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0468231-A2 | Guanidins | F. HOFFMANN-LA ROCHE AG (CH) | 1992-01-29 | — | — | EP | claimed |
| EP-0468231-A2 | Guanidins | F. HOFFMANN-LA ROCHE AG (CH) | 1992-01-29 | — | — | EP | disclosed |