⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15989525 | 1.00 | — | — | |
| SCHEMBL20393123 | 1.00 | — | — | |
| SCHEMBL15423953 | 0.81 | — | — | |
| SCHEMBL18556369 | 0.81 | HSD17B10 (0.41) | — | |
| SCHEMBL12293215 | 0.76 | HSD17B10 (0.35) | — | |
| SCHEMBL12920079 | 0.75 | HSD17B10 (0.37) | — | |
| SCHEMBL19087166 | 0.74 | — | — | |
| SCHEMBL14724881 | 0.73 | — | — | |
| SCHEMBL808905 | 0.73 | — | — | |
| SCHEMBL10398926 | 0.73 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109694307-A | A kind of preparation method of bis- chloro-2-methyl 2,4- pentadiene of 5,5- | 沈阳中化农药化工研发有限公司 | 2019-04-30 | — | — | CN | claimed |
| CN-109694307-A | A kind of preparation method of bis- chloro-2-methyl 2,4- pentadiene of 5,5- | 沈阳中化农药化工研发有限公司 | 2019-04-30 | — | — | CN | disclosed |
| CN-109694307-A | A kind of preparation method of bis- chloro-2-methyl 2,4- pentadiene of 5,5- | 沈阳中化农药化工研发有限公司 | 2019-04-30 | — | — | CN | disclosed |
| CN-109694307-A | A kind of preparation method of bis- chloro-2-methyl 2,4- pentadiene of 5,5- | 沈阳中化农药化工研发有限公司 | 2019-04-30 | — | — | CN | disclosed |
| CN-109692708-A | A kind of asymmetry ciprofloxacin eye drops catalyst and its application | 沈阳中化农药化工研发有限公司 | 2019-04-30 | — | — | CN | disclosed |
| US-4644024-A | ADHESIVES | PHILLIPS PETROLEUM COMPANY (US) | 1987-02-17 | — | — | US | disclosed |