⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16340985 | 0.72 | — | — | |
| SCHEMBL5327659 | 0.71 | — | — | |
| SCHEMBL6268967 | 0.70 | — | — | |
| SCHEMBL1768871 | 0.68 | — | — | |
| Water SCHEMBL7145853 | 0.67 | KDM4E (0.38) | — | |
| SCHEMBL207289 | 0.67 | KDM4E (0.31) | — | |
| SCHEMBL16341819 | 0.67 | — | — | |
| Iodide SCHEMBL4566524 | 0.66 | KDM4E (0.30) | — | |
| Bromide SCHEMBL2439098 | 0.66 | KDM4E (0.30) | — | |
| Hydrochloric Acid SCHEMBL572631 | 0.66 | KDM4E (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8821716-B2 | Desulfurization of hydrocarbons by ionic liquids and preparation of ionic liquids | INSTITUTO MEXICANO DEL PETROLEO (MX) | 2014-09-02 | — | — | US | disclosed |
| US-20130118955-A1 | DESULFURIZATION OF HYDROCARBONS BY IONIC LIQUIDS AND PREPARATION OF IONIC LIQUIDS | INSTITUTO MEXICANO DEL PETROLEO (MX) | 2013-05-16 | — | — | US | disclosed |