⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8027083 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL6929676 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL6927798 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL7455446 | 0.70 | — | — | |
| SCHEMBL27348790 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL8026245 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL6925227 | 0.69 | — | — | |
| SCHEMBL7458149 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL7560986 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL6929869 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011074688-A1 | PRODUCTION PROCESS OF OLEFIN POLYMERIZATION CATALYST AND OLEFIN POLYMER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-06-23 | — | — | WO | disclosed |