⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL218174 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL216203 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL216644 | 0.67 | EPHX1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL217755 | 0.66 | EPHX2 (0.31) | — | |
| SCHEMBL5342347 | 0.60 | THRB (0.38) | — | |
| SCHEMBL5342562 | 0.60 | THRB (0.38) | — | |
| SCHEMBL5339913 | 0.58 | ALDH1A1 (0.36) | — | |
| SCHEMBL5339241 | 0.58 | ALDH1A1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL5138343 | 0.56 | EPHX2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL5138345 | 0.56 | EPHX2 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1558655-B1 | MULTIPLE CATALYST SYSTEM FOR OLEFIN POLYMERIZATION AND POLYMERS PRODUCED THEREFROM | EXXONMOBIL CHEM PATENTS INC (US) | 2012-08-29 | — | — | EP | disclosed |
| EP-1558655-A2 | MULTIPLE CATALYST SYSTEM FOR OLEFIN POLYMERIZATION AND POLYMERS PRODUCED THEREFROM | Exxonmobil Chemical Patents Inc. (US) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004046214-A2 | MULTIPLE CATALYST SYSTEM FOR OLEFIN POLYMERIZATION AND POLYMERS PRODUCED THEREFROM | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2004-06-03 | — | — | WO | disclosed |