⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22148540 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL10937975 | 0.72 | — | — | |
| SCHEMBL687347 | 0.72 | — | — | |
| SCHEMBL317552 | 0.72 | — | — | |
| SCHEMBL9879686 | 0.72 | — | — | |
| SCHEMBL7927908 | 0.72 | — | — | |
| SCHEMBL10937979 | 0.72 | — | — | |
| SCHEMBL18289484 | 0.72 | — | — | |
| SCHEMBL8078932 | 0.70 | — | — | |
| SCHEMBL3259900 | 0.69 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1350788-A2 | Process for preparing hexamethylenediamine from butadiene | Degussa AG (DE) | 2003-10-08 | — | — | EP | claimed |
| CN-113233998-B | Preparation method of mesotrione | 浙江新安化工集团股份有限公司 | 2021-12-28 | — | — | CN | disclosed |
| CN-113233998-A | Preparation method of mesotrione | 浙江新安化工集团股份有限公司 | 2021-08-10 | — | — | CN | disclosed |
| US-20030212298-A1 | Method of producing hexamethylene diamine from butadiene | DEGUSSA AG | 2003-11-13 | — | — | US | disclosed |
| US-20030212298-A1 | Method of producing hexamethylene diamine from butadiene | DEGUSSA AG | 2003-11-13 | — | — | US | disclosed |
| EP-1350788-A3 | Process for preparing hexamethylenediamine from butadiene | Degussa AG (DE) | 2003-11-12 | — | — | EP | disclosed |
| EP-1350788-A2 | Process for preparing hexamethylenediamine from butadiene | Degussa AG (DE) | 2003-10-08 | — | — | EP | disclosed |
| EP-1350788-A2 | Process for preparing hexamethylenediamine from butadiene | Degussa AG (DE) | 2003-10-08 | — | — | EP | disclosed |
| US-5072021-A | Liquid crystals | MITSUI TOATSU CHEMICALS, INC. (JP) | 1991-12-10 | — | — | US | disclosed |