⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL991137 | 0.80 | — | — | |
| SCHEMBL1937514 | 0.79 | — | — | |
| SCHEMBL21192461 | 0.76 | GRM4 (0.33) | — | |
| SCHEMBL20673481 | 0.76 | APLNR (0.31) | — | |
| SCHEMBL30158906 | 0.70 | — | — | |
| SCHEMBL29187893 | 0.70 | — | — | |
| SCHEMBL29187891 | 0.70 | — | — | |
| SCHEMBL20048868 | 0.69 | — | — | |
| SCHEMBL13758545 | 0.67 | HSD11B1 (0.40) | — | |
| SCHEMBL27854770 | 0.67 | FFAR3 (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-10774053-B2 | HIV protease inhibitors | GILEAD SCIENCES, INC. (US) | 2020-09-15 | — | — | US | disclosed |
| EP-2403852-A1 | 3H-IMIDAZO [4, 5 -C]PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS | Boehringer Ingelheim International GmbH (DE) | 2012-01-11 | — | — | EP | disclosed |
| WO-2010100249-A1 | 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-10 | — | — | WO | disclosed |