⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13044843 | 0.93 | — | — | |
| SCHEMBL13044866 | 0.90 | — | — | |
| SCHEMBL13947110 | 0.90 | — | — | |
| SCHEMBL13044865 | 0.89 | HCRTR2 (0.31) | — | |
| SCHEMBL13947108 | 0.89 | HCRTR2 (0.31) | — | |
| SCHEMBL13044849 | 0.89 | — | — | |
| SCHEMBL13044839 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL13947114 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL13044869 | 0.83 | TRPA1 (0.42) | — | |
| SCHEMBL13947109 | 0.82 | ALDH1A1 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100286131-A1 | VIRAL POLYMERASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-11 | — | — | US | disclosed |
| US-20100286131-A1 | VIRAL POLYMERASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-11 | — | — | US | disclosed |
| WO-2009018656-A1 | VIRAL POLYMERASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-02-12 | — | — | WO | disclosed |