⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11650304 | 0.85 | TDP1 (0.30) | — | |
| SCHEMBL11645589 | 0.85 | TDP1 (0.30) | — | |
| SCHEMBL11649963 | 0.79 | — | — | |
| SCHEMBL11516233 | 0.78 | TDP1 (0.31) | — | |
| SCHEMBL11517782 | 0.75 | — | — | |
| SCHEMBL11648871 | 0.68 | PGR (0.43) | — | |
| SCHEMBL11650007 | 0.68 | PGR (0.43) | — | |
| SCHEMBL11648868 | 0.68 | PGR (0.43) | — | |
| SCHEMBL11649958 | 0.68 | PGR (0.34) | — | |
| SCHEMBL11653302 | 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 |
|---|---|---|---|---|---|---|---|
| US-4102883-A | 19,8-Lactone steroid derivatives and processes of preparation thereof | STEELE CHEMICALS CO. LTD. (CA) | 1978-07-25 | — | — | US | disclosed |