⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL242413 | 1.00 | — | — | |
| Water SCHEMBL29518359 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7225747 | 0.92 | TDP1 (0.41) | — | |
| Dimethylamine SCHEMBL28023091 | 0.89 | — | — | |
| SCHEMBL28682804 | 0.83 | TDP1 (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL15389813 | 0.78 | ALDH1A1 (0.33) | — | |
| Acetone SCHEMBL27275393 | 0.76 | — | — | |
| Acetic Acid SCHEMBL30830 | 0.75 | FFAR3 (0.54) | — | |
| Acetic Acid SCHEMBL3925485 | 0.75 | FFAR3 (0.54) | — | |
| Acetic Acid SCHEMBL8437478 | 0.75 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-1549613-A1 | SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY | Abbott Laboratories (US) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004033419-A1 | SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY | ABBOTT LABORATORIES (US) | 2004-04-22 | — | — | WO | disclosed |
| EP-0541120-A2 | Xanthine derivatives for the treatment of dementia | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1993-05-12 | — | — | EP | disclosed |