⚠ 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 SCHEMBL6651644 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL3840592 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL6657046 | 0.79 | DNMT1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL3847764 | 0.77 | DNMT1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL6654975 | 0.77 | — | — | |
| SCHEMBL3201866 | 0.76 | NCEH1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL6650229 | 0.73 | CYP1A2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL3200774 | 0.73 | NCEH1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL3200761 | 0.73 | DNMT1 (0.31) | — | |
| SCHEMBL3199973 | 0.72 | MEN1 (0.31) | — |
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-1426379-B1 | TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME | SUMITOMO CHEMICAL CO (JP) | 2009-11-11 | — | — | EP | disclosed |