⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3400674 | 0.85 | — | — | |
| SCHEMBL3401630 | 0.74 | — | — | |
| SCHEMBL2821564 | 0.72 | CYP11B2 (0.49) | — | |
| SCHEMBL7426757 | 0.62 | HRH4 (0.46) | — | |
| SCHEMBL2817779 | 0.60 | CYP11B2 (0.43) | — | |
| SCHEMBL14151813 | 0.59 | BACE1 (0.32) | — | |
| SCHEMBL2820057 | 0.59 | CYP11B2 (0.42) | — | |
| SCHEMBL23831781 | 0.56 | ALDH1A1 (0.38) | — | |
| SCHEMBL5465261 | 0.56 | IDO1 (0.41) | — | |
| SCHEMBL17494714 | 0.56 | KMT2A (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2213668-A2 | Imidazoles as aldosterone synthase inhibitors | Novartis AG (CH) | 2010-08-04 | — | — | EP | disclosed |