⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1702656 | 0.93 | TNF (0.31) | — | |
| SCHEMBL1702289 | 0.92 | — | — | |
| SCHEMBL1702712 | 0.83 | CYP3A4 (0.32) | — | |
| SCHEMBL2451054 | 0.83 | ROCK2 (0.35) | — | |
| SCHEMBL1702297 | 0.83 | CYP3A4 (0.34) | — | |
| SCHEMBL1703325 | 0.82 | CYP3A4 (0.33) | — | |
| SCHEMBL2452144 | 0.82 | CYP3A4 (0.33) | — | |
| SCHEMBL2452150 | 0.82 | CYP3A4 (0.33) | — | |
| SCHEMBL1702714 | 0.80 | — | — | |
| SCHEMBL16152430 | 0.76 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2440528-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2014-10-08 | — | — | EP | claimed |
| EP-2440528-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-04-18 | — | — | EP | claimed |
| WO-2010142656-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-12-16 | — | — | WO | claimed |
| US-20100311760-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | DE VICENTE FIDALGO JAVIER | 2010-12-09 | — | — | US | claimed |