⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL473092 | 0.76 | — | — | |
| SCHEMBL22169227 | 0.76 | — | — | |
| SCHEMBL7744612 | 0.74 | THRB (0.33) | — | |
| SCHEMBL6229375 | 0.74 | THRB (0.33) | — | |
| SCHEMBL1518712 | 0.74 | THRB (0.33) | — | |
| SCHEMBL23358875 | 0.74 | THRB (0.33) | — | |
| SCHEMBL23358944 | 0.74 | THRB (0.33) | — | |
| SCHEMBL23358999 | 0.74 | THRB (0.33) | — | |
| SCHEMBL23359018 | 0.74 | THRB (0.33) | — | |
| SCHEMBL23358846 | 0.74 | THRB (0.33) | — |
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-A | Left-handed-anti-form-1, the detection method of the cis- -1,2- cyclohexanediamine of impurity in 2- cyclohexanediamine | 山东铂源药业有限公司 | 2019-04-05 | — | — | CN | claimed |