⚠ 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 SCHEMBL5616602 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL4558337 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL6526128 | 0.70 | — | — | |
| SCHEMBL7194740 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL9079089 | 0.65 | — | — | |
| SCHEMBL4630333 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL6904846 | 0.65 | — | — | |
| SCHEMBL4423569 | 0.63 | — | — | |
| SCHEMBL8759245 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL6470848 | 0.63 | — | — |
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-1992000333-A2 | ALUMINUM-FREE MONOCYCLOPENTADIENYL METALLOCENE CATALYSTS FOR OLEFIN POLYMERIZATION | EXXON CHEMICAL PATENTS INC. (US) | 1992-01-09 | — | — | WO | disclosed |