⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3172838 | 0.91 | — | — | |
| SCHEMBL3173876 | 0.88 | ADH1B (0.59) | — | |
| SCHEMBL27758272 | 0.88 | — | — | |
| SCHEMBL23845317 | 0.88 | ADH1B (0.59) | — | |
| SCHEMBL13548254 | 0.80 | CA12 (0.39) | — | |
| SCHEMBL27660973 | 0.78 | KDM4E (0.36) | — | |
| SCHEMBL7459706 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL27936411 | 0.73 | — | — | |
| SCHEMBL28286922 | 0.70 | ADH1B (0.41) | — | |
| SCHEMBL19658308 | 0.67 | ADH1B (1.00) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101541348-A | Hydrazone derivatives and use thereof | LINGUAGEN CORP (US) | 2009-09-23 | — | — | CN | claimed |
| CN-109071492-A | Azabicyclo-substituted triazole derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2018-12-21 | — | — | CN | disclosed |
| CN-101541348-A | Hydrazone derivatives and use thereof | LINGUAGEN CORP (US) | 2009-09-23 | — | — | CN | disclosed |