⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8404474 | 0.76 | — | — | |
| SCHEMBL12138872 | 0.73 | — | — | |
| SCHEMBL21273026 | 0.73 | — | — | |
| SCHEMBL14434857 | 0.72 | CYP1A2 (0.41) | — | |
| SCHEMBL1498468 | 0.72 | BCAT2 (0.50) | — | |
| SCHEMBL20180773 | 0.71 | PDPK1 (0.43) | — | |
| SCHEMBL21621307 | 0.70 | — | — | |
| SCHEMBL13693761 | 0.70 | HTT (0.43) | — | |
| SCHEMBL29289348 | 0.68 | GDA (0.42) | — | |
| SCHEMBL9582021 | 0.68 | HPGD (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8178547-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2012-05-15 | — | — | US | disclosed |
| US-20100158860-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | STEINER SANDRA | 2010-06-24 | — | — | US | disclosed |