⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20048102 | 0.90 | PDK1 (0.34) | — | |
| SCHEMBL21729782 | 0.78 | PDK1 (0.34) | — | |
| SCHEMBL21143403 | 0.78 | PDK1 (0.39) | — | |
| SCHEMBL20048226 | 0.76 | ESR1 (0.37) | — | |
| SCHEMBL20048225 | 0.76 | ESR1 (0.37) | — | |
| SCHEMBL21143415 | 0.76 | ESR1 (0.37) | — | |
| SCHEMBL21470230 | 0.76 | PGR (0.44) | — | |
| SCHEMBL9019868 | 0.76 | PDK1 (0.36) | — | |
| SCHEMBL22861582 | 0.75 | PGR (0.41) | — | |
| SCHEMBL23131063 | 0.74 | PDK1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3851444-A1 | INHIBITORS OF GLUCOCORTICOID RECEPTOR | Oric Pharmaceuticals, Inc. (US) | 2021-07-21 | — | — | EP | disclosed |