⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2321646 | 0.73 | — | — | |
| SCHEMBL333187 | 0.73 | — | — | |
| SCHEMBL333188 | 0.73 | — | — | |
| SCHEMBL7763539 | 0.69 | — | — | |
| SCHEMBL21174919 | 0.69 | — | — | |
| SCHEMBL30470 | 0.69 | — | — | |
| SCHEMBL30471 | 0.69 | — | — | |
| SCHEMBL2466745 | 0.69 | — | — | |
| SCHEMBL9717730 | 0.67 | — | — | |
| SCHEMBL4423357 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108463109-A | Kill harmful organism activity pyrazole derivatives | 先正达参股股份有限公司 | 2018-08-28 | — | — | CN | claimed |
| CN-108463109-A | Kill harmful organism activity pyrazole derivatives | 先正达参股股份有限公司 | 2018-08-28 | — | — | CN | disclosed |
| US-7998916-B2 | Replacement solvents having improved properties and methods of using the same | MAINSTREAM ENGINEERING CORPORATION (US) | 2011-08-16 | — | — | US | disclosed |
| US-7960331-B2 | Replacement solvents having improved properties and methods of using the same | GRZYLL LAWRENCE R | 2011-06-14 | — | — | US | disclosed |