⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1136401 | 0.90 | ALDH1A1 (0.32) | — | |
| Formaldehyde SCHEMBL27413455 | 0.89 | — | — | |
| Water SCHEMBL27155119 | 0.89 | ALDH1A1 (0.31) | — | |
| Hydrogen Sulfide SCHEMBL28736850 | 0.89 | ALDH1A1 (0.31) | — | |
| Sulfur Dioxide SCHEMBL27330059 | 0.87 | — | — | |
| Sulfur Dioxide SCHEMBL28540996 | 0.86 | — | — | |
| SCHEMBL28040588 | 0.83 | — | — | |
| Cyanate SCHEMBL28241407 | 0.81 | — | — | |
| SCHEMBL22498680 | 0.81 | — | — | |
| SCHEMBL28944661 | 0.80 | MEN1 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110229052-A | A kind of continuous bromination reaction production method of difenoconazole intermediate phenylene ether ketone bromide | 山东潍坊双星农药有限公司 | 2019-09-13 | — | — | CN | claimed |
| CN-110229052-A | A kind of continuous bromination reaction production method of difenoconazole intermediate phenylene ether ketone bromide | 山东潍坊双星农药有限公司 | 2019-09-13 | — | — | CN | disclosed |
| CN-110229052-A | A kind of continuous bromination reaction production method of difenoconazole intermediate phenylene ether ketone bromide | 山东潍坊双星农药有限公司 | 2019-09-13 | — | — | CN | disclosed |
| CN-110229052-A | A kind of continuous bromination reaction production method of difenoconazole intermediate phenylene ether ketone bromide | 山东潍坊双星农药有限公司 | 2019-09-13 | — | — | CN | disclosed |