⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28070401 | 0.93 | ALK (0.40) | — | |
| SCHEMBL28070382 | 0.87 | TTK (0.45) | — | |
| SCHEMBL28384435 | 0.87 | — | — | |
| SCHEMBL28070373 | 0.87 | MAPK10 (0.40) | — | |
| SCHEMBL28388107 | 0.86 | FLT3 (0.40) | — | |
| SCHEMBL28383526 | 0.86 | ALK (0.40) | — | |
| SCHEMBL28298543 | 0.85 | — | — | |
| SCHEMBL28382399 | 0.83 | CHEK1 (0.40) | — | |
| SCHEMBL28070380 | 0.83 | TTK (0.41) | — | |
| SCHEMBL28383377 | 0.83 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105682661-B | Certain chemical entities, compositions, and methods | 润新生物公司 | 2020-03-27 | — | — | CN | claimed |
| CN-105682661-A | Certain chemical entities, compositions, and methods | 润新生物公司 | 2016-06-15 | — | — | CN | claimed |
| CN-109851617-B | Chemical entities, compositions, and methods | 润新生物公司 | 2022-08-16 | — | — | CN | disclosed |
| CN-111285813-A | Chemical entities, compositions, and methods | 润新生物公司 | 2020-06-16 | — | — | CN | disclosed |
| CN-105682661-B | Certain chemical entities, compositions, and methods | 润新生物公司 | 2020-03-27 | — | — | CN | disclosed |
| CN-105682661-A | Certain chemical entities, compositions, and methods | 润新生物公司 | 2016-06-15 | — | — | CN | disclosed |