⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29124725 | 0.77 | MEN1 (0.31) | — | |
| SCHEMBL15913745 | 0.71 | HRH4 (0.31) | — | |
| SCHEMBL25218483 | 0.68 | ROCK1 (0.52) | — | |
| SCHEMBL29124749 | 0.68 | CHKA (0.35) | — | |
| Bromide SCHEMBL25221740 | 0.67 | ROCK1 (0.51) | — | |
| SCHEMBL27923549 | 0.67 | SORD (0.44) | — | |
| SCHEMBL25267669 | 0.67 | ROCK2 (0.40) | — | |
| SCHEMBL29124645 | 0.65 | LMNA (0.41) | — | |
| SCHEMBL28070643 | 0.65 | MAPT (0.48) | — | |
| SCHEMBL29124698 | 0.64 | CNR2 (0.36) | — |
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-116917279-A | BTK inhibitors | 渤健马萨诸塞州股份有限公司 | 2023-10-20 | — | — | CN | disclosed |