⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1656352 | 0.73 | — | — | |
| SCHEMBL10247442 | 0.71 | — | — | |
| SCHEMBL24702531 | 0.67 | — | — | |
| SCHEMBL10776060 | 0.58 | — | — | |
| SCHEMBL16924352 | 0.57 | — | — | |
| SCHEMBL10197109 | 0.57 | — | — | |
| SCHEMBL9604425 | 0.57 | — | — | |
| SCHEMBL10701109 | 0.57 | — | — | |
| SCHEMBL9765548 | 0.55 | — | — | |
| SCHEMBL22164783 | 0.55 | KDM4E (0.35) | — |
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-2250174-B1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARMACEUTICALS INC (US) | 2013-08-28 | — | — | EP | disclosed |