⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8162812 | 0.85 | — | — | |
| SCHEMBL2960657 | 0.78 | CYP1A2 (0.32) | — | |
| SCHEMBL2975716 | 0.71 | — | — | |
| SCHEMBL2959800 | 0.70 | — | — | |
| SCHEMBL6911050 | 0.67 | UGT2B17 (0.33) | — | |
| SCHEMBL6907001 | 0.65 | NOS3 (0.32) | — | |
| SCHEMBL2958542 | 0.64 | — | — | |
| SCHEMBL2975802 | 0.64 | HTR1D (0.32) | — | |
| SCHEMBL29272041 | 0.64 | RAPGEF4 (0.34) | — | |
| SCHEMBL30074157 | 0.64 | CYP3A4 (0.38) | — |
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-1034190-A1 | POLYMERIZATION CATALYST FOR OLEFIN MONOMERS | LG CHEMICAL LIMITED (KR) | 2000-09-13 | — | — | EP | disclosed |
| WO-1999026985-A1 | POLYMERIZATION CATALYST FOR OLEFIN MONOMERS | LG CHEMICAL LTD. (KR) | 1999-06-03 | — | — | WO | disclosed |