⚠ 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 SCHEMBL2485989 | 0.96 | — | — | |
| Fluoride Ion SCHEMBL5815394 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL811646 | 0.83 | — | — | |
| SCHEMBL9615106 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL9077847 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL27790654 | 0.74 | — | — | |
| Fluoride Ion SCHEMBL7641236 | 0.71 | — | — | |
| SCHEMBL8676292 | 0.69 | TSHR (0.35) | — | |
| Fluoride Ion SCHEMBL28210703 | 0.69 | — | — | |
| SCHEMBL61051 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1112293-A1 | POLYMERIZATION PROCESS USING AN IMPROVED BULKY LIGAND METALLOCENE-TYPE CATALYST SYSTEM | Univation Technologies LLC (US) | 2001-07-04 | — | — | EP | disclosed |
| WO-2000011047-A1 | POLYMERIZATION PROCESS USING AN IMPROVED BULKY LIGAND METALLOCENE-TYPE CATALYST SYSTEM | UNIVATION TECHNOLOGIES LLC (US) | 2000-03-02 | — | — | WO | disclosed |