⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL380414 | 0.89 | — | — | |
| Fluoride Ion SCHEMBL4256732 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL149703 | 0.89 | — | — | |
| SCHEMBL9472380 | 0.84 | — | — | |
| SCHEMBL910599 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL10486874 | 0.77 | — | — | |
| Sulfuric Acid SCHEMBL1271271 | 0.71 | TP53 (0.33) | — | |
| SCHEMBL11787963 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL1029882 | 0.65 | — | — | |
| Propane SCHEMBL7900783 | 0.60 | — | — |
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-0095290-A1 | Retreating comminuted olefin polymerization catalyst with a titanium (IV) compound and an ester | AMOCO CORPORATION (US) | 1983-11-30 | — | — | EP | disclosed |