⚠ 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 SCHEMBL2838121 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL674543 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL675688 | 0.69 | — | — | |
| SCHEMBL5011322 | 0.68 | CYP19A1 (0.32) | — | |
| SCHEMBL6903959 | 0.68 | CYP19A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL454887 | 0.67 | CYP19A1 (0.30) | — | |
| SCHEMBL8853895 | 0.67 | ALDH1A1 (0.39) | — | |
| SCHEMBL6920791 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL674532 | 0.65 | — | — | |
| SCHEMBL44940 | 0.65 | ALDH1A1 (0.40) | — |
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-1964860-A1 | ETHYLENE POLYMER, CATALYST FOR PRODUCTION OF ETHYLENE POLYMER, AND PROCESS FOR PRODUCTION OF ETHYLENE POLYMER | Tosoh Corporation (JP) | 2008-09-03 | — | — | EP | disclosed |