⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6725184 | 0.95 | — | — | |
| SCHEMBL18477682 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL6718832 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL6725365 | 0.92 | — | — | |
| SCHEMBL27147720 | 0.90 | — | — | |
| SCHEMBL18477681 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL6718829 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL6725360 | 0.87 | — | — | |
| SCHEMBL27032629 | 0.87 | — | — | |
| SCHEMBL2170722 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6673737-B2 | Ionic liquid compositions | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY | 2004-01-06 | — | — | US | disclosed |
| US-20020198100-A1 | Ionic liquid compositions | EXXONMOBILE RESEARCH & ENGINEERING CO. | 2002-12-26 | — | — | US | disclosed |
| WO-2002098560-A1 | SUPPORTED IONIC LIQUID COMPOSITIONS | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2002-12-12 | — | — | WO | disclosed |