⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4482452 | 0.96 | — | — | |
| SCHEMBL18923378 | 0.42 | — | — | |
| SCHEMBL990922 | 0.38 | ALDH1A1 (0.33) | — | |
| SCHEMBL2791127 | 0.35 | — | — | |
| P-Xylene SCHEMBL28498328 | 0.33 | ACHE (0.89) | — | |
| Benzene SCHEMBL28786407 | 0.30 | TP53 (0.43) | — | |
| Methylamine SCHEMBL3240364 | 0.30 | — | — | |
| Methylamine SCHEMBL8441989 | 0.30 | — | — | |
| Methylamine SCHEMBL9853401 | 0.30 | — | — | |
| Methylamine SCHEMBL20553772 | 0.30 | — | — |
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-1074557-A2 | Transition metal complexes, ligands, catalysts, and their use in the polymerisation of olefins | TARGOR GmbH (DE) | 2001-02-07 | — | — | EP | disclosed |