⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8768162 | 0.93 | AKR1C3 (0.30) | — | |
| SCHEMBL8768216 | 0.91 | AKR1C3 (0.32) | — | |
| SCHEMBL9173750 | 0.86 | NR3C1 (0.35) | — | |
| SCHEMBL9173987 | 0.84 | — | — | |
| SCHEMBL9171310 | 0.83 | NR3C1 (0.30) | — | |
| SCHEMBL5891654 | 0.82 | AKR1C3 (0.34) | — | |
| SCHEMBL7868038 | 0.82 | AKR1C3 (0.34) | — | |
| SCHEMBL5891671 | 0.82 | AKR1C3 (0.33) | — | |
| SCHEMBL6864127 | 0.81 | AKR1C3 (0.33) | — | |
| SCHEMBL9173953 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5426102-A | Antigestagenic, antiandrogenic, antiglucocorticoid, antimineralcorticoid properties | SCHERING AKTIENGESELLSCHAFT (DE) | 1995-06-20 | — | — | US | disclosed |