⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16317425 | 0.89 | — | — | |
| SCHEMBL18786196 | 0.83 | — | — | |
| SCHEMBL16918648 | 0.75 | — | — | |
| SCHEMBL20243249 | 0.74 | STAT3 (0.30) | — | |
| SCHEMBL6817670 | 0.74 | STAT3 (0.30) | — | |
| SCHEMBL8071840 | 0.74 | STAT3 (0.30) | — | |
| SCHEMBL8071841 | 0.74 | STAT3 (0.30) | — | |
| SCHEMBL8077670 | 0.74 | STAT3 (0.30) | — | |
| SCHEMBL7146669 | 0.74 | STAT3 (0.30) | — | |
| SCHEMBL8071839 | 0.74 | STAT3 (0.30) | — |
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-1883626-B1 | LOW-CALCEMIC 16,23-DIENE 25-OXIME ANALOGS OF 1ALPHA,25-DIHYDROXY VITAMIN D3 | OPKO IRELAND GLOBAL HOLDINGS LTD (KY) | 2017-10-11 | — | — | EP | disclosed |