⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1797068 | 0.67 | — | — | |
| SCHEMBL29027394 | 0.67 | — | — | |
| SCHEMBL8104042 | 0.57 | — | — | |
| SCHEMBL29023654 | 0.57 | — | — | |
| SCHEMBL5574826 | 0.57 | — | — | |
| SCHEMBL28190943 | 0.56 | — | — | |
| SCHEMBL126179 | 0.53 | — | — | |
| SCHEMBL10653262 | 0.50 | ESR1 (0.32) | — | |
| SCHEMBL9693201 | 0.50 | FBP1 (0.42) | — | |
| SCHEMBL29911336 | 0.50 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1680333-A | Anti-virus pyrazole derivatives | HOFFMANN LA ROCHE (CH) | 2005-10-12 | — | — | CN | disclosed |
| CN-1633417-A | Imidazolidinone derivatives for the treatment of viral diseases | HOFFMANN LA ROCHE (CH) | 2005-06-29 | — | — | CN | disclosed |
| CN-1191239-C | Pyrazole derivatives for the treatment of viral diseases | HOFFMANN LA ROCHE (CH) | 2005-03-02 | — | — | CN | disclosed |
| CN-1469865-A | Pyrazole derivatives for the treatment of viral diseases | - | 2004-01-21 | — | — | CN | disclosed |