⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35058 | 0.96 | — | — | |
| SCHEMBL1268918 | 0.92 | — | — | |
| Lithium Ion SCHEMBL6692293 | 0.88 | — | — | |
| Isopropyl Alcohol SCHEMBL28552527 | 0.85 | ALDH1A1 (0.43) | — | |
| SCHEMBL10942974 | 0.77 | — | — | |
| Hexane SCHEMBL7071302 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL833622 | 0.75 | — | — | |
| Tetrahydrofuran SCHEMBL7067246 | 0.73 | ALDH1A1 (0.42) | — | |
| SCHEMBL31135447 | 0.70 | LMNA (0.32) | — | |
| SCHEMBL600973 | 0.70 | LMNA (0.32) | — |
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-20040010138-A1 | Process for the production of 7alpha-methyl steroids | SCHERING AG (DE) | 2004-01-15 | — | — | US | disclosed |