⚠ 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 SCHEMBL856868 | 0.87 | — | — | |
| SCHEMBL107551 | 0.87 | HRH3 (0.34) | — | |
| SCHEMBL8003081 | 0.85 | HRH3 (0.33) | — | |
| Iodide SCHEMBL247931 | 0.85 | HRH3 (0.33) | — | |
| Water SCHEMBL1176980 | 0.85 | HRH3 (0.33) | — | |
| Bromide SCHEMBL193081 | 0.85 | HRH3 (0.33) | — | |
| Hydrochloric Acid SCHEMBL193045 | 0.85 | HRH3 (0.33) | — | |
| Fluoride Ion SCHEMBL5046809 | 0.85 | HRH3 (0.33) | — | |
| SCHEMBL16794775 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL2831078 | 0.83 | HRH3 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012087442-A1 | POLYBENZIMIDAZOLE SOLUTION IN AN IONIC LIQUID | PBI PERFORMANCE PRODUCTS, INC. (US) | 2012-06-28 | — | — | WO | disclosed |