⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27969022 | 0.91 | OPRM1 (0.46) | — | |
| SCHEMBL29678590 | 0.84 | DNM1 (0.41) | — | |
| SCHEMBL28182600 | 0.79 | DNM1 (0.38) | — | |
| SCHEMBL8603359 | 0.77 | — | — | |
| SCHEMBL4134939 | 0.75 | — | — | |
| SCHEMBL4134938 | 0.75 | — | — | |
| SCHEMBL2120964 | 0.75 | — | — | |
| SCHEMBL10814773 | 0.75 | — | — | |
| SCHEMBL29647839 | 0.74 | OPRM1 (0.48) | — | |
| SCHEMBL9368619 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019177902-A1 | MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE | YALE UNIVERSITY (US) | 2019-09-19 | — | — | WO | disclosed |