⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23561005 | 0.82 | TSHR (0.31) | — | |
| SCHEMBL22298205 | 0.80 | PLA2G2C (0.31) | — | |
| SCHEMBL19606491 | 0.78 | — | — | |
| SCHEMBL19370703 | 0.78 | — | — | |
| SCHEMBL25920475 | 0.77 | — | — | |
| SCHEMBL31369710 | 0.77 | TGFBR1 (0.37) | — | |
| SCHEMBL24865948 | 0.77 | DDAH1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL2982200 | 0.75 | TGFBR1 (0.36) | — | |
| SCHEMBL27006113 | 0.74 | — | — | |
| SCHEMBL8061894 | 0.74 | ALDH1A1 (0.39) | — |
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-2019148055-A9 | IMIDE-BASED MODULATORS OF PROTEOLYSIS AND METHODS OF USE | YALE UNIVERSITY (US) | 2019-09-26 | — | — | WO | disclosed |