⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2001419 | 0.79 | — | — | |
| SCHEMBL6536446 | 0.72 | KDM4E (0.40) | — | |
| SCHEMBL7880032 | 0.72 | LMNA (0.30) | — | |
| SCHEMBL37506 | 0.72 | KDM4E (0.40) | — | |
| SCHEMBL29743191 | 0.72 | LMNA (0.30) | — | |
| SCHEMBL5574791 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL956721 | 0.69 | KDM4E (0.39) | — | |
| Iodide SCHEMBL11068952 | 0.69 | KDM4E (0.39) | — | |
| SCHEMBL3736916 | 0.69 | KDM4E (0.39) | — | |
| Fluoride SCHEMBL11766154 | 0.69 | KDM4E (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7109355-B2 | Fluorinated π-bridge second order nonlinear optical chromophores and electro-optic devices therefrom | LUMERA CORPORATION (US) | 2006-09-19 | — | — | US | claimed |
| US-20040192942-A1 | Fluorinated pi-bridge second order nonlinear optical chromophores and electro-optic devices therefrom | LUMERA CORPORATION | 2004-09-30 | — | — | US | 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-2684870-A1 | METHOD FOR PREPARING THIOCARBOXYLIC ACID S-(FLUOROALKYL) ESTER | Sumitomo Chemical Company Limited (JP) | 2014-01-15 | — | — | EP | disclosed |