⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL28242746 | 0.82 | — | — | |
| Acetonitrile SCHEMBL21243812 | 0.82 | — | — | |
| Acetonitrile SCHEMBL1295727 | 0.82 | — | — | |
| Cyanamide SCHEMBL28008437 | 0.82 | — | — | |
| Acetonitrile SCHEMBL30490488 | 0.82 | — | — | |
| Acetonitrile SCHEMBL1330705 | 0.82 | — | — | |
| Acetonitrile SCHEMBL10524251 | 0.82 | TSHR (0.36) | — | |
| Acetonitrile SCHEMBL1330624 | 0.82 | — | — | |
| Acetonitrile SCHEMBL1331294 | 0.82 | — | — | |
| Acetonitrile SCHEMBL10523138 | 0.82 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117753450-A | Catalyst for preparing malononitrile, preparation method and application thereof | 上海巽田科技股份有限公司 | 2024-03-26 | — | — | CN | disclosed |
| CN-107500314-A | A kind of preparation method of cyanamide organic solution | 山东益丰生化环保股份有限公司 | 2017-12-22 | — | — | CN | disclosed |