⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11515410 | 0.73 | ATP1A1 (0.32) | — | |
| SCHEMBL11598844 | 0.70 | ATP1A1 (0.52) | — | |
| SCHEMBL11649488 | 0.67 | — | — | |
| SCHEMBL11599003 | 0.66 | TP53 (0.47) | — | |
| SCHEMBL11647609 | 0.66 | ATP1A1 (0.65) | — | |
| SCHEMBL11650562 | 0.66 | ATP1A1 (0.65) | — | |
| SCHEMBL11647610 | 0.66 | ATP1A1 (0.65) | — | |
| SCHEMBL11519325 | 0.66 | ATP1A1 (0.34) | — | |
| SCHEMBL11649249 | 0.63 | ATP1A1 (0.47) | — | |
| SCHEMBL11649247 | 0.63 | ATP1A1 (0.47) | — |
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 | claimed |