⚠ 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 | |
|---|---|---|---|---|
| Dibromoacetic Acid SCHEMBL137199 | 0.91 | — | — | |
| Dibromoacetic Acid SCHEMBL1330871 | 0.91 | — | — | |
| Dibromoacetic Acid SCHEMBL27817174 | 0.87 | — | — | |
| Dibromoacetic Acid SCHEMBL6915783 | 0.87 | — | — | |
| Dibromoacetic Acid SCHEMBL6915840 | 0.87 | — | — | |
| Dibromoacetic Acid SCHEMBL6908798 | 0.87 | — | — | |
| Dibromoacetic Acid SCHEMBL4883547 | 0.87 | — | — | |
| Dibromoacetic Acid SCHEMBL11492115 | 0.87 | — | — | |
| Dibromoacetic Acid SCHEMBL6913544 | 0.87 | — | — | |
| Dibromoacetic Acid SCHEMBL6909888 | 0.87 | — | — |
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-112236421-A | Pyrazole derivative and pest control agent | 组合化学工业株式会社 | 2021-01-15 | — | — | CN | disclosed |