⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28898034 | 0.98 | — | — | |
| SCHEMBL28646638 | 0.71 | — | — | |
| SCHEMBL9800533 | 0.70 | — | — | |
| SCHEMBL343623 | 0.69 | KDM4E (0.31) | — | |
| SCHEMBL426305 | 0.69 | KDM4E (0.31) | — | |
| SCHEMBL142650 | 0.69 | KDM4E (0.31) | — | |
| SCHEMBL26126645 | 0.69 | KDM4E (0.31) | — | |
| SCHEMBL27787195 | 0.67 | — | — | |
| SCHEMBL17729280 | 0.67 | — | — | |
| SCHEMBL23493732 | 0.66 | — | — |
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-109580822-B | Method for detecting cis-1, 2-cyclohexanediamine impurity in levo-trans-1, 2-cyclohexanediamine | 山东铂源药业有限公司 | 2021-03-19 | — | — | CN | disclosed |