⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL577833 | 0.77 | — | — | |
| SCHEMBL28772849 | 0.74 | — | — | |
| SCHEMBL14281292 | 0.73 | — | — | |
| SCHEMBL13574496 | 0.72 | FDPS (0.49) | — | |
| SCHEMBL1369210 | 0.72 | ALDH1A1 (0.50) | — | |
| SCHEMBL4695990 | 0.71 | FDPS (0.47) | — | |
| SCHEMBL13574526 | 0.71 | FDPS (0.47) | — | |
| SCHEMBL30566396 | 0.71 | FDPS (0.47) | — | |
| SCHEMBL11372836 | 0.70 | FDPS (0.46) | — | |
| SCHEMBL11525031 | 0.70 | FDPS (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015159153-A1 | NOVEL BISPHOSPHONATES AND THEIR USE | WROCŁAWSKIE CENTRUM BADAŃ EIT+ SP. Z O.O. (PL) | 2015-10-22 | — | — | WO | disclosed |