⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29545648 | 0.73 | SHBG (0.34) | — | |
| SCHEMBL22128456 | 0.73 | SHBG (0.34) | — | |
| SCHEMBL17660364 | 0.72 | ROCK1 (0.31) | — | |
| SCHEMBL24357635 | 0.71 | KDM1A (0.32) | — | |
| SCHEMBL12186137 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL22128477 | 0.70 | BCHE (0.32) | — | |
| SCHEMBL17645789 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL17660368 | 0.69 | NOS3 (0.35) | — | |
| SCHEMBL17664632 | 0.68 | AAK1 (0.42) | — | |
| SCHEMBL30027997 | 0.68 | AGBL2 (0.40) | — |
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-20160096834-A1 | HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2016-04-07 | — | — | US | disclosed |