⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4547000 | 0.60 | NOS3 (0.30) | — | |
| SCHEMBL11891517 | 0.54 | — | — | |
| SCHEMBL3020682 | 0.54 | — | — | |
| SCHEMBL20428243 | 0.54 | — | — | |
| SCHEMBL11993168 | 0.53 | — | — | |
| SCHEMBL13928430 | 0.53 | — | — | |
| SCHEMBL14453252 | 0.51 | — | — | |
| SCHEMBL22524583 | 0.51 | — | — | |
| SCHEMBL22787457 | 0.51 | — | — | |
| SCHEMBL19070279 | 0.51 | — | — |
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-2084163-B1 | TETRACYCLIC INHIBITORS OF CYSTEINE PROTEASES, THE PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR THERAPEUTIC APPLICATIONS | HYBRIGENICS SA (FR) | 2017-04-12 | — | — | EP | disclosed |