⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10715121 | 0.78 | — | — | |
| SCHEMBL3659138 | 0.71 | INMT (0.31) | — | |
| SCHEMBL21383924 | 0.71 | POLB (0.32) | — | |
| SCHEMBL21383887 | 0.71 | ALOX15 (0.31) | — | |
| SCHEMBL29865192 | 0.71 | GAA (0.33) | — | |
| SCHEMBL21389203 | 0.70 | DUT (0.39) | — | |
| SCHEMBL12228961 | 0.69 | PIK3CD (0.53) | — | |
| SCHEMBL19449153 | 0.69 | POLB (0.32) | — | |
| SCHEMBL19543018 | 0.69 | BLM (0.31) | — | |
| SCHEMBL7803036 | 0.69 | CYP3A4 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11046684-B2 | Compound for selectively inhibiting kinase and use thereof | SHANGHAI ZHEYE BIOTECHNOLOGY LIMITED LIABILITY COMPANY (CN) | 2021-06-29 | — | — | US | disclosed |