⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18474339 | 0.76 | — | — | |
| SCHEMBL272575 | 0.71 | — | — | |
| SCHEMBL11487306 | 0.70 | CA12 (0.48) | — | |
| SCHEMBL191955 | 0.69 | MEN1 (1.00) | — | |
| SCHEMBL144087 | 0.69 | DDAH1 (1.00) | — | |
| SCHEMBL10872946 | 0.69 | — | — | |
| Iodide SCHEMBL11058783 | 0.69 | — | — | |
| SCHEMBL965041 | 0.67 | — | — | |
| SCHEMBL9703811 | 0.65 | — | — | |
| SCHEMBL23182834 | 0.65 | — | — |
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-1178958-B1 | N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS | AXYS PHARM INC (US) | 2004-02-18 | — | — | EP | claimed |