⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13061789 | 1.00 | — | — | |
| SCHEMBL1231757 | 0.80 | — | — | |
| SCHEMBL31581570 | 0.77 | — | — | |
| SCHEMBL1232280 | 0.76 | DRD2 (0.34) | — | |
| SCHEMBL25332447 | 0.76 | — | — | |
| SCHEMBL1231645 | 0.75 | — | — | |
| Bromide SCHEMBL25332573 | 0.75 | — | — | |
| SCHEMBL3435255 | 0.75 | — | — | |
| SCHEMBL11030566 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28712022 | 0.73 | C5AR1 (0.40) | — |
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 5 patents. 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 | claimed |
| 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 |
| US-20100317866-A1 | IMIDAZOLE GROUP-CONTAINING PHOSPHORUS COMPOUNDS | BASF SE (DE) | 2010-12-16 | — | — | US | disclosed |
| EP-2254895-A1 | IMIDAZOLE GROUP-CONTAINING PHOSPHORUS COMPOUNDS | BASF SE (DE) | 2010-12-01 | — | — | EP | disclosed |
| WO-2009101162-A1 | IMIDAZOLE GROUP-CONTAINING PHOSPHORUS COMPOUNDS | BASF SE (DE) | 2009-08-20 | — | — | WO | disclosed |