⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7106720 | 0.90 | — | — | |
| SCHEMBL216950 | 0.88 | HTR6 (0.33) | — | |
| SCHEMBL7107274 | 0.86 | — | — | |
| SCHEMBL7106037 | 0.81 | — | — | |
| SCHEMBL6916550 | 0.81 | GPR3 (0.39) | — | |
| SCHEMBL8560772 | 0.77 | HTR6 (0.30) | — | |
| Hydrochloric Acid SCHEMBL7106724 | 0.77 | KDM4E (0.31) | — | |
| SCHEMBL8408407 | 0.77 | — | — | |
| SCHEMBL216943 | 0.76 | SIGMAR1 (0.31) | — | |
| SCHEMBL6720596 | 0.75 | — | — |
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-0927201-B1 | CATALYST SYSTEM FOR (CO)POLYMERIZATION OF OLEFINS AND PROCESS FOR THE PREPARATION OF OLEFIN (CO)POLYMERS USING THE CATALYST SYSTEM | HYUNDAI PETROCHEMICAL CO LTD (KR) | 2004-04-14 | — | — | EP | disclosed |