⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2013537 | 0.74 | — | — | |
| SCHEMBL23367093 | 0.72 | — | — | |
| SCHEMBL18120671 | 0.72 | — | — | |
| SCHEMBL2012180 | 0.70 | MGAM (0.42) | — | |
| Hydrochloric Acid SCHEMBL23354543 | 0.70 | — | — | |
| SCHEMBL1143457 | 0.67 | — | — | |
| SCHEMBL3694034 | 0.67 | — | — | |
| SCHEMBL23354500 | 0.65 | CYP2D6 (0.30) | — | |
| SCHEMBL943917 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL2017302 | 0.64 | FAAH (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010029066-A1 | IMIDAZOLE AND TRIAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING SAID COMPOUNDS | BASF SE (DE) | 2010-03-18 | — | — | WO | disclosed |