⚠ 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 SCHEMBL7638025 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL6916175 | 0.68 | — | — | |
| SCHEMBL4451760 | 0.68 | — | — | |
| SCHEMBL7944666 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL7638069 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL4888239 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL6907705 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL7639743 | 0.60 | — | — | |
| SCHEMBL6253349 | 0.56 | CALM1 (0.42) | — | |
| SCHEMBL7945982 | 0.53 | — | — |
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 2 patents. 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 |
| EP-0945471-A1 | CATALYSTS FOR THE POLYMERIZATION OF OLEFINS, PROCESS FOR THE PRODUCTION OF OLEFIN POLYMERS, AND PROCESSES FOR THE PRODUCTION OF STYRENE POLYMERS | IDEMITSU PETROCHEMICAL CO., LTD. (JP) | 1999-09-29 | — | — | EP | disclosed |