⚠ 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 | |
|---|---|---|---|---|
| P-Xylene SCHEMBL5146887 | 0.79 | ACHE (0.67) | — | |
| SCHEMBL44533 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL2866389 | 0.75 | MAPT (0.50) | — | |
| SCHEMBL9516537 | 0.73 | HPGD (0.78) | — | |
| SCHEMBL50079 | 0.73 | HPGD (0.78) | — | |
| SCHEMBL108881 | 0.73 | HPGD (0.78) | — | |
| SCHEMBL2683360 | 0.73 | TDP1 (0.57) | — | |
| SCHEMBL9501161 | 0.73 | CA1 (0.52) | — | |
| Water SCHEMBL8602751 | 0.71 | HPGD (0.74) | — | |
| SCHEMBL24062399 | 0.71 | KIF11 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109311918-B | Ligand compound, transition metal compound and catalyst composition comprising same | LG化学株式会社 | 2021-07-27 | — | — | CN | disclosed |