⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13398763 | 0.77 | — | — | |
| SCHEMBL16325010 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL607727 | 0.73 | — | — | |
| SCHEMBL363997 | 0.73 | — | — | |
| SCHEMBL5216288 | 0.73 | — | — | |
| SCHEMBL6841613 | 0.73 | — | — | |
| SCHEMBL5609258 | 0.73 | TDP1 (0.65) | — | |
| SCHEMBL11213234 | 0.73 | — | — | |
| Ethylene SCHEMBL11601730 | 0.72 | MGAM (0.50) | — | |
| Formaldehyde SCHEMBL27730837 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106928044-A | A kind of preparation method of fluoro phenylacetic acid | 上海康鹏科技有限公司 | 2017-07-07 | — | — | CN | disclosed |
| US-20040063580-A1 | Bicyclic triazolone derivatives and a herbicides containing the same | SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) | 2004-04-01 | — | — | US | disclosed |
| EP-1333031-A1 | BICYCLIC TRIAZOLONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME | Sumitomo Chemical Takeda Agro Company, Limited (JP) | 2003-08-06 | — | — | EP | disclosed |