⚠ 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 | |
|---|---|---|---|---|
| Phosphine SCHEMBL7096319 | 0.38 | — | — | |
| SCHEMBL20818918 | 0.35 | — | — | |
| Phosphine SCHEMBL7506 | 0.34 | — | — | |
| SCHEMBL60790 | 0.29 | — | — | |
| SCHEMBL19096 | 0.29 | — | — | |
| SCHEMBL30464751 | 0.29 | — | — | |
| SCHEMBL30843229 | 0.29 | — | — | |
| SCHEMBL297988 | 0.29 | — | — | |
| Oxygen SCHEMBL7165600 | 0.29 | — | — | |
| Water SCHEMBL23023600 | 0.25 | — | — |
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-2012032513-A1 | BORANOPHOSPHATE DERIVATIVES FOR THE TREATMENT OF OSTEOARTHRITIS | BAR-ILAN UNIVERSITY (IL) | 2012-03-15 | — | — | WO | disclosed |