⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2056746 | 0.58 | — | — | |
| SCHEMBL11255228 | 0.52 | — | — | |
| SCHEMBL12079523 | 0.46 | — | — | |
| SCHEMBL7366717 | 0.46 | — | — | |
| SCHEMBL12079525 | 0.46 | — | — | |
| SCHEMBL1465460 | 0.46 | — | — | |
| SCHEMBL4381 | 0.44 | — | — | |
| SCHEMBL890278 | 0.43 | — | — | |
| SCHEMBL29073024 | 0.43 | — | — | |
| Water SCHEMBL8079813 | 0.43 | — | — |
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-20190161499-A1 | PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2019-05-30 | — | — | US | disclosed |
| US-7393873-B2 | Arylsulfonamide derivatives | MERCK & CO., INC. (US) | 2008-07-01 | — | — | US | disclosed |
| US-20060142612-A1 | Arylsulfonamide derivatives | MERCK SHARP & DOHME CORP. | 2006-06-29 | — | — | US | disclosed |