⚠ 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 | |
|---|---|---|---|---|
| Thiocyanic Acid SCHEMBL454040 | 0.85 | CYP2A6 (0.32) | — | |
| Bromide SCHEMBL273016 | 0.82 | — | — | |
| Water SCHEMBL3942297 | 0.82 | — | — | |
| Formaldehyde SCHEMBL16758702 | 0.77 | — | — | |
| SCHEMBL29441440 | 0.77 | — | — | |
| Carbon Monoxide SCHEMBL3635403 | 0.77 | — | — | |
| SCHEMBL3712659 | 0.77 | — | — | |
| Phosphoric Acid SCHEMBL4397366 | 0.74 | — | — | |
| SCHEMBL18766374 | 0.73 | — | — | |
| Acetic Acid SCHEMBL302240 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007055392-A1 | IONIC COMPOUND | NIPPON SHOKUBAI CO., LTD. (JP) | 2007-05-18 | — | — | WO | disclosed |
| WO-2007013658-A1 | SOLVENT FOR REACTION AND PRODUCTION METHOD USING THE SAME | NIPPON SHOKUBAI CO., LTD. (JP) | 2007-02-01 | — | — | WO | disclosed |