⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4409941 | 0.97 | — | — | |
| SCHEMBL2378204 | 0.77 | — | — | |
| SCHEMBL6255690 | 0.76 | — | — | |
| SCHEMBL671159 | 0.71 | — | — | |
| SCHEMBL1934300 | 0.71 | — | — | |
| SCHEMBL2746197 | 0.70 | TDP1 (0.31) | — | |
| SCHEMBL6255006 | 0.70 | MCL1 (0.37) | — | |
| SCHEMBL10880153 | 0.69 | — | — | |
| SCHEMBL9438659 | 0.67 | — | — | |
| SCHEMBL10631595 | 0.67 | PHF8 (0.37) | — |
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-106414473-A | Polyene macrolide derivative | 盐野义制药株式会社 | 2017-02-15 | — | — | CN | disclosed |