⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2304249 | 0.69 | — | — | |
| SCHEMBL414468 | 0.69 | — | — | |
| SCHEMBL9773297 | 0.69 | RAB9A (0.47) | — | |
| SCHEMBL6502970 | 0.66 | MAPK14 (0.50) | — | |
| SCHEMBL16799844 | 0.65 | CASP3 (0.36) | — | |
| SCHEMBL21737602 | 0.65 | — | — | |
| SCHEMBL5538915 | 0.65 | — | — | |
| SCHEMBL11312058 | 0.65 | — | — | |
| SCHEMBL545901 | 0.65 | — | — | |
| SCHEMBL847406 | 0.65 | — | — |
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-103131206-A | Pyrazolopyridine benzocoumarin dye derivative and synthesis method and application thereof | CHINESE ACAD TECH INST PHYSICS | 2013-06-05 | — | — | CN | claimed |
| EP-3611165-A1 | PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | Mitsui Chemicals Agro, Inc. (JP) | 2020-02-19 | — | — | EP | disclosed |
| CN-103131206-A | Pyrazolopyridine benzocoumarin dye derivative and synthesis method and application thereof | CHINESE ACAD TECH INST PHYSICS | 2013-06-05 | — | — | CN | disclosed |