⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28845352 | 0.75 | — | — | |
| SCHEMBL27746303 | 0.75 | — | — | |
| SCHEMBL18366162 | 0.75 | — | — | |
| SCHEMBL18367263 | 0.75 | — | — | |
| SCHEMBL10805317 | 0.71 | MAPK14 (0.42) | — | |
| SCHEMBL18372619 | 0.71 | ALOX15 (0.36) | — | |
| SCHEMBL18366169 | 0.69 | CCNA2 (0.50) | — | |
| SCHEMBL27599943 | 0.69 | HPGD (0.41) | — | |
| SCHEMBL2322234 | 0.68 | RAB9A (0.56) | — | |
| SCHEMBL18367064 | 0.67 | — | — |
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-106061963-A | Heterocyclic modulators of lipid synthesis and combinations thereof | 3-V生物科学股份有限公司 | 2016-10-26 | — | — | CN | disclosed |