⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL216461 | 0.84 | HTR6 (0.31) | — | |
| SCHEMBL6918352 | 0.84 | HTR6 (0.31) | — | |
| SCHEMBL6910229 | 0.81 | HTR6 (0.31) | — | |
| SCHEMBL7597686 | 0.78 | HTR2A (0.34) | — | |
| SCHEMBL7636151 | 0.76 | HTR6 (0.30) | — | |
| SCHEMBL216045 | 0.75 | SIGMAR1 (0.31) | — | |
| SCHEMBL5852883 | 0.75 | — | — | |
| SCHEMBL438420 | 0.74 | — | — | |
| SCHEMBL7638051 | 0.73 | SIGMAR1 (0.35) | — | |
| SCHEMBL5856493 | 0.73 | MEN1 (0.31) | — |
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 |