⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23316752 | 0.84 | HMGCR (0.35) | — | |
| SCHEMBL826204 | 0.77 | — | — | |
| SCHEMBL18941948 | 0.75 | — | — | |
| SCHEMBL20469323 | 0.69 | — | — | |
| SCHEMBL12515879 | 0.68 | HMGCR (0.34) | — | |
| SCHEMBL21371133 | 0.64 | HMGCR (0.38) | — | |
| SCHEMBL19299638 | 0.64 | MAPK1 (0.31) | — | |
| SCHEMBL13879002 | 0.63 | ALDH1A1 (0.43) | — | |
| SCHEMBL12675343 | 0.62 | TSHR (0.32) | — | |
| SCHEMBL18880183 | 0.62 | — | — |
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-2018141940-A1 | NANOPARTICLE-BASED LIVER-TARGETING THERAPY | MIDATECH LIMITED (GB) | 2018-08-09 | — | — | WO | disclosed |