⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28412813 | 1.00 | MAPT (0.54) | — | |
| SCHEMBL1699317 | 1.00 | MAPT (0.54) | — | |
| SCHEMBL578477 | 0.97 | — | — | |
| SCHEMBL578379 | 0.88 | — | — | |
| SCHEMBL27629247 | 0.78 | MAPT (0.48) | — | |
| SCHEMBL6393139 | 0.78 | MAPT (0.48) | — | |
| SCHEMBL9142634 | 0.78 | MAPT (0.48) | — | |
| SCHEMBL5022714 | 0.78 | MAPT (0.48) | — | |
| SCHEMBL2686495 | 0.78 | — | — | |
| SCHEMBL24926247 | 0.77 | MAPT (0.52) | — |
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-106455560-B | Use of malononitrile compounds for protecting animals against parasites | 勃林格殷格翰动物保健美国公司 | 2020-12-22 | — | — | CN | disclosed |