⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31634533 | 0.71 | GAA (0.34) | — | |
| SCHEMBL5112776 | 0.71 | GAA (0.34) | — | |
| SCHEMBL31634538 | 0.71 | GAA (0.34) | — | |
| SCHEMBL4186128 | 0.71 | GAA (0.34) | — | |
| SCHEMBL13008014 | 0.69 | — | — | |
| SCHEMBL15061681 | 0.63 | — | — | |
| SCHEMBL4193121 | 0.63 | BACE1 (0.30) | — | |
| SCHEMBL6796036 | 0.63 | — | — | |
| SCHEMBL6796029 | 0.63 | — | — | |
| SCHEMBL21911283 | 0.60 | — | — |
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-1240137-B1 | METHOD FOR MAKING 24(S)-HYDROXYVITAMIN D 2 | BONE CARE INT INC (US) | 2004-06-09 | — | — | EP | claimed |