⚠ 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 | |
|---|---|---|---|---|
| Formic Acid Methyl Ester SCHEMBL27996317 | 0.88 | — | — | |
| Formic Acid Methyl Ester SCHEMBL1330535 | 0.83 | — | — | |
| Formic Acid Methyl Ester SCHEMBL650 | 0.83 | — | — | |
| Formic Acid Methyl Ester SCHEMBL1332784 | 0.83 | — | — | |
| Formic Acid Methyl Ester SCHEMBL935999 | 0.83 | — | — | |
| Formic Acid Methyl Ester SCHEMBL10773235 | 0.79 | — | — | |
| Formic Acid Methyl Ester SCHEMBL11552131 | 0.79 | — | — | |
| Formic Acid Methyl Ester SCHEMBL9645770 | 0.79 | — | — | |
| Formic Acid Methyl Ester SCHEMBL7925276 | 0.79 | — | — | |
| Formic Acid Methyl Ester SCHEMBL14787285 | 0.79 | TDP1 (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104703982-B | Pyrazole compound and the pesticide combination comprising pyrazole compound | 巴斯夫欧洲公司 | 2018-01-05 | — | — | CN | disclosed |