⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11029871 | 0.83 | — | — | |
| SCHEMBL6678521 | 0.74 | C5AR1 (0.40) | — | |
| SCHEMBL3435255 | 0.70 | — | — | |
| SCHEMBL1231645 | 0.70 | — | — | |
| Iodide SCHEMBL11028661 | 0.67 | — | — | |
| SCHEMBL6678739 | 0.66 | DPP4 (0.35) | — | |
| SCHEMBL1232273 | 0.65 | — | — | |
| SCHEMBL34511 | 0.65 | SELL (0.36) | — | |
| SCHEMBL6679629 | 0.63 | NR1I2 (0.32) | — | |
| SCHEMBL8028616 | 0.63 | GABRA1 (0.37) | — |
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-20120190806-A1 | Phosphine Borane Compounds Comprising Imidazol Groups And Method For Producing Phosphine Borane Compounds Comprising Imidazol Groups | BASF SE (DE) | 2012-07-26 | — | — | US | disclosed |