⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4765447 | 0.82 | LMNA (0.36) | — | |
| SCHEMBL1693306 | 0.75 | — | — | |
| SCHEMBL1155069 | 0.73 | DPP4 (0.31) | — | |
| SCHEMBL3948575 | 0.73 | PPM1D (0.31) | — | |
| SCHEMBL4595854 | 0.73 | — | — | |
| SCHEMBL1692886 | 0.70 | MEN1 (0.34) | — | |
| SCHEMBL1692646 | 0.70 | MEN1 (0.34) | — | |
| SCHEMBL2640272 | 0.69 | TERT (0.31) | — | |
| SCHEMBL1693060 | 0.67 | — | — | |
| SCHEMBL3949961 | 0.66 | LMNA (0.33) | — |
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-2011149841-A1 | SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-α MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-12-01 | — | — | WO | disclosed |