⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4633295 | 0.79 | CA1 (0.42) | — | |
| SCHEMBL3262138 | 0.70 | CA2 (0.33) | — | |
| SCHEMBL8173016 | 0.68 | RXRA (0.42) | — | |
| SCHEMBL1864344 | 0.67 | GABRA1 (0.35) | — | |
| SCHEMBL125906 | 0.67 | CA2 (0.41) | — | |
| SCHEMBL12818100 | 0.67 | — | — | |
| SCHEMBL3231091 | 0.66 | ALDH1A1 (0.43) | — | |
| SCHEMBL16035569 | 0.66 | SIGMAR1 (0.31) | — | |
| SCHEMBL11014097 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL3109144 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6509426-B2 | Dichloro(1,1'-dimethylsilylenebis(2-methyl-4-(4-methoxyphenyl) -4H-azulenyl))zirconium, for example; can produce polyolefin with high molecular weight and high melting point for extrusion or injection moldability | JAPAN POLYCHEM CORPORATION (JP) | 2003-01-21 | — | — | US | claimed |
| EP-1817292-B1 | NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) | JANSSEN PHARMACEUTICA NV (BE) | 2015-04-08 | — | — | EP | disclosed |