⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28866132 | 0.70 | — | — | |
| SCHEMBL25403015 | 0.69 | — | — | |
| SCHEMBL3050114 | 0.68 | — | — | |
| SCHEMBL13261991 | 0.68 | — | — | |
| SCHEMBL1760847 | 0.68 | — | — | |
| SCHEMBL25403737 | 0.68 | — | — | |
| SCHEMBL25402182 | 0.68 | — | — | |
| SCHEMBL25403109 | 0.68 | — | — | |
| SCHEMBL25403717 | 0.68 | — | — | |
| SCHEMBL8313228 | 0.68 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2632908-B1 | SULFONAMIDES AS HIV PROTEASE INHIBITORS | MERCK CANADA INC (CA) | 2016-05-25 | — | — | EP | claimed |
| US-9187415-B2 | Sulfonamides as HIV protease inhibitors | MERCK CANADA INC. (CA) | 2015-11-17 | — | — | US | claimed |
| US-20140018326-A1 | SULFONAMIDES AS HIB PROTEASE INHIBITORS | MERCK CANADA INC. (CA) | 2014-01-16 | — | — | US | claimed |
| EP-2632908-A1 | SULFONAMIDES AS HIV PROTEASE INHIBITORS | Merck Canada Inc. (CA) | 2013-09-04 | — | — | EP | claimed |
| WO-2012055034-A1 | SULFONAMIDES AS HIV PROTEASE INHIBITORS | MERCK CANADA INC. (CA) | 2012-05-03 | — | — | WO | claimed |
| WO-2024071216-A1 | PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT | 三井化学クロップ＆ライフソリューション株式会社 | 2024-04-04 | — | — | WO | disclosed |
| WO-2023171783-A1 | PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT | 三井化学アグロ株式会社 | 2023-09-14 | — | — | WO | disclosed |
| EP-2632908-B1 | SULFONAMIDES AS HIV PROTEASE INHIBITORS | MERCK CANADA INC (CA) | 2016-05-25 | — | — | EP | disclosed |
| US-9187415-B2 | Sulfonamides as HIV protease inhibitors | MERCK CANADA INC. (CA) | 2015-11-17 | — | — | US | disclosed |
| US-20140018326-A1 | SULFONAMIDES AS HIB PROTEASE INHIBITORS | MERCK CANADA INC. (CA) | 2014-01-16 | — | — | US | disclosed |
| EP-2632908-A1 | SULFONAMIDES AS HIV PROTEASE INHIBITORS | Merck Canada Inc. (CA) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012055034-A1 | SULFONAMIDES AS HIV PROTEASE INHIBITORS | MERCK CANADA INC. (CA) | 2012-05-03 | — | — | WO | disclosed |