⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2481359 | 0.75 | IRAK1 (0.40) | — | |
| SCHEMBL2481362 | 0.65 | KCNH2 (0.30) | — | |
| SCHEMBL1702654 | 0.65 | CYP3A4 (0.33) | — | |
| SCHEMBL12302465 | 0.65 | ADRA2A (0.32) | — | |
| SCHEMBL25527295 | 0.56 | HIF1A (0.34) | — | |
| SCHEMBL21193169 | 0.56 | — | — | |
| SCHEMBL12302467 | 0.55 | KIF20B (0.36) | — | |
| SCHEMBL3801852 | 0.54 | PRNP (0.35) | — | |
| SCHEMBL21208763 | 0.54 | — | — | |
| SCHEMBL1702652 | 0.53 | 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 |
|---|---|---|---|---|---|---|---|
| EP-2440528-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010142656-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-12-16 | — | — | WO | disclosed |