⚠ 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 SCHEMBL3258025 | 0.82 | — | — | |
| SCHEMBL3861098 | 0.78 | — | — | |
| SCHEMBL3860945 | 0.76 | PKM (0.34) | — | |
| SCHEMBL3202398 | 0.74 | CACNA1F (0.31) | — | |
| SCHEMBL3213783 | 0.74 | PARP1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL3260085 | 0.74 | — | — | |
| SCHEMBL3211385 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL3201951 | 0.72 | ESR1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL3201941 | 0.72 | ESR1 (0.30) | — | |
| SCHEMBL4047483 | 0.72 | — | — |
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 |