⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL388063 | 0.93 | — | — | |
| SCHEMBL12073693 | 0.71 | — | — | |
| SCHEMBL1623070 | 0.71 | — | — | |
| SCHEMBL4418711 | 0.70 | KMT2A (0.46) | — | |
| SCHEMBL28236101 | 0.70 | DPP4 (0.36) | — | |
| SCHEMBL17260756 | 0.70 | KMT2A (0.46) | — | |
| SCHEMBL1414446 | 0.68 | — | — | |
| SCHEMBL16620438 | 0.67 | DPP4 (0.34) | — | |
| SCHEMBL16620440 | 0.67 | DPP4 (0.34) | — | |
| SCHEMBL8727381 | 0.67 | LMNA (0.32) | — |
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-113429316-A | Method for refining adiponitrile | 瑞典国际化工技术有限公司 | 2021-09-24 | — | — | CN | disclosed |