⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8584788 | 0.83 | — | — | |
| SCHEMBL13678085 | 0.72 | — | — | |
| SCHEMBL6533453 | 0.72 | — | — | |
| SCHEMBL274952 | 0.72 | — | — | |
| SCHEMBL2487105 | 0.72 | — | — | |
| SCHEMBL12060496 | 0.72 | — | — | |
| SCHEMBL20386739 | 0.65 | — | — | |
| SCHEMBL149877 | 0.61 | — | — | |
| SCHEMBL3658907 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL9549754 | 0.55 | — | — |
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 |