⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5597581 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL3680557 | 0.98 | — | — | |
| SCHEMBL7638774 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL3674128 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL6723315 | 0.67 | — | — | |
| SCHEMBL25937174 | 0.65 | — | — | |
| SCHEMBL687931 | 0.64 | — | — | |
| SCHEMBL3844196 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL615508 | 0.63 | — | — | |
| Fluoride SCHEMBL1130418 | 0.63 | — | — |
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-1325073-B1 | METALLOCENE-PRODUCED VERY LOW DENSITY POLYETHYLENES | EXXONMOBIL CHEM PATENTS INC (US) | 2007-05-09 | — | — | EP | disclosed |