⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL598447 | 0.95 | — | — | |
| SCHEMBL10957942 | 0.86 | — | — | |
| SCHEMBL325299 | 0.77 | — | — | |
| Oxirane SCHEMBL5611063 | 0.72 | — | — | |
| SCHEMBL547964 | 0.67 | — | — | |
| SCHEMBL9266003 | 0.67 | — | — | |
| SCHEMBL26770 | 0.65 | — | — | |
| SCHEMBL477712 | 0.65 | — | — | |
| SCHEMBL477532 | 0.65 | — | — | |
| SCHEMBL8207346 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1252133-A2 | PHARMACEUTICAL COMPOUNDS | NICOX S.A. (FR) | 2002-10-30 | — | — | EP | disclosed |
| WO-2001012584-A2 | PHARMACEUTICAL COMPOUNDS | NICOX S.A. (FR) | 2001-02-22 | — | — | WO | disclosed |