⚠ 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 SCHEMBL4891341 | 0.98 | — | — | |
| SCHEMBL4591283 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL6525776 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL4466244 | 0.64 | — | — | |
| SCHEMBL1507353 | 0.64 | CTSD (0.33) | — | |
| Hydrochloric Acid SCHEMBL4472809 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL4460414 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL4472805 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL4460415 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL4891335 | 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 |