⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1392984 | 0.92 | — | — | |
| SCHEMBL25273439 | 0.89 | — | — | |
| SCHEMBL28782363 | 0.86 | — | — | |
| SCHEMBL28782292 | 0.86 | — | — | |
| SCHEMBL20560580 | 0.86 | — | — | |
| SCHEMBL4527949 | 0.84 | — | — | |
| SCHEMBL4838682 | 0.84 | — | — | |
| SCHEMBL578629 | 0.84 | — | — | |
| Water SCHEMBL28944567 | 0.84 | — | — | |
| SCHEMBL4530523 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6150560-A | Recovery of tris(aryl)borane from their tetrahydrofuran complexes | ALBEMARLE CORPORATION (US) | 2000-11-21 | — | — | US | disclosed |