⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9679043 | 0.74 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL9679520 | 0.66 | — | — | |
| SCHEMBL9676541 | 0.61 | — | — | |
| SCHEMBL13744951 | 0.60 | POLB (0.63) | — | |
| SCHEMBL13753310 | 0.60 | F2 (0.42) | — | |
| SCHEMBL2052158 | 0.59 | NPSR1 (0.30) | — | |
| SCHEMBL15693098 | 0.59 | GRM2 (0.39) | — | |
| SCHEMBL22987370 | 0.58 | — | — | |
| SCHEMBL409863 | 0.58 | MGLL (0.52) | — | |
| SCHEMBL20228150 | 0.56 | CYP19A1 (0.33) | — |
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-0373542-B1 | IMIDAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Roche Diagnostics GmbH (DE) | 1992-06-17 | — | — | EP | disclosed |