⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4819351 | 0.77 | — | — | |
| SCHEMBL676667 | 0.76 | — | — | |
| SCHEMBL6241768 | 0.73 | — | — | |
| SCHEMBL28898276 | 0.71 | — | — | |
| SCHEMBL20198611 | 0.70 | — | — | |
| SCHEMBL14402093 | 0.70 | — | — | |
| SCHEMBL9974853 | 0.69 | — | — | |
| SCHEMBL11689915 | 0.68 | TSHR (0.30) | — | |
| SCHEMBL18666684 | 0.67 | — | — | |
| SCHEMBL18165241 | 0.67 | — | — |
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-1070088-A1 | POLYMERIZATION PROCESS | ExxonMobil Chemical Patents Inc. (US) | 2001-01-24 | — | — | EP | disclosed |
| WO-1999051648-A1 | POLYMERIZATION PROCESS | EXXON CHEMICAL PATENTS INC. (US) | 1999-10-14 | — | — | WO | disclosed |