⚠ 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 SCHEMBL7637008 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL4890367 | 0.68 | BCHE (0.30) | — | |
| SCHEMBL27900747 | 0.68 | BCHE (0.30) | — | |
| Hydrochloric Acid SCHEMBL7164903 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL648920 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL7639244 | 0.67 | BCHE (0.31) | — | |
| Hydrochloric Acid SCHEMBL7642657 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL4881504 | 0.67 | — | — | |
| SCHEMBL14735871 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL4475734 | 0.63 | — | — |
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-0945471-B1 | CATALYSTS FOR THE POLYMERIZATION OF OLEFINS, PROCESS FOR THE PRODUCTION OF OLEFIN POLYMERS, AND PROCESSES FOR THE PRODUCTION OF STYRENE POLYMERS | IDEMITSU KOSAN CO (JP) | 2009-05-13 | — | — | EP | disclosed |