⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20235023 | 0.89 | ALDH1A1 (0.35) | — | |
| SCHEMBL25069386 | 0.87 | ALDH1A1 (0.33) | — | |
| SCHEMBL2422221 | 0.83 | ALDH1A1 (0.48) | — | |
| SCHEMBL2421484 | 0.83 | ALDH1A1 (0.42) | — | |
| SCHEMBL21004277 | 0.81 | KDM1A (0.39) | — | |
| SCHEMBL24170085 | 0.78 | HRH4 (0.33) | — | |
| SCHEMBL21004582 | 0.78 | OPRK1 (0.35) | — | |
| SCHEMBL21862375 | 0.77 | GRIN2D (0.37) | — | |
| SCHEMBL20325665 | 0.76 | KDM1A (0.43) | — | |
| SCHEMBL4031514 | 0.76 | GRIN2D (0.31) | — |
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-20200121684-A1 | MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE | UNIV YALE (US) | 2020-04-23 | — | — | US | disclosed |