⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1155690 | 0.84 | — | — | |
| SCHEMBL9923700 | 0.74 | — | — | |
| SCHEMBL505275 | 0.72 | — | — | |
| SCHEMBL20936645 | 0.72 | — | — | |
| SCHEMBL23505888 | 0.69 | PDK1 (0.35) | — | |
| SCHEMBL10035000 | 0.69 | MMP9 (0.38) | — | |
| SCHEMBL503315 | 0.69 | CHRM5 (0.37) | — | |
| SCHEMBL24577717 | 0.69 | MMP9 (0.36) | — | |
| SCHEMBL19786136 | 0.69 | — | — | |
| SCHEMBL160362 | 0.67 | — | — |
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-2004052847-A2 | TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2004-06-24 | — | — | WO | disclosed |