⚠ 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 SCHEMBL7935703 | 0.80 | TAAR1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL9066635 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL9065976 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL7936326 | 0.72 | ADORA2B (0.30) | — | |
| SCHEMBL3807933 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL9065930 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL14717692 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL2401870 | 0.67 | — | — | |
| SCHEMBL7638439 | 0.66 | CFTR (0.39) | — | |
| SCHEMBL5892367 | 0.66 | CFTR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0500944-A1 | CATALYST FOR $g(a)-OLEFIN POLYMERIZATION AND PRODUCTION OF POLY-$g(a)-OLEFIN THEREWITH | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1992-09-02 | — | — | EP | disclosed |