⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL47203 | 0.94 | — | — | |
| SCHEMBL5665336 | 0.84 | HDAC8 (0.39) | — | |
| SCHEMBL11691085 | 0.73 | DYRK1A (0.46) | — | |
| Ethoxycarbonyl Group SCHEMBL28264141 | 0.71 | TRPM8 (0.32) | — | |
| SCHEMBL13305091 | 0.67 | — | — | |
| SCHEMBL276437 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL6079983 | 0.63 | HDAC8 (0.43) | — | |
| Hydrochloric Acid SCHEMBL6843504 | 0.63 | HDAC8 (0.43) | — | |
| Hydrochloric Acid SCHEMBL15569913 | 0.63 | — | — | |
| SCHEMBL2481828 | 0.62 | — | — |
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-107344940-A | BTK inhibitor and application thereof | 广东东阳光药业有限公司 | 2017-11-14 | — | — | CN | disclosed |