⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL1131348 | 0.63 | CTSD (0.33) | — | |
| SCHEMBL812577 | 0.60 | CTSD (0.35) | — | |
| Bromide SCHEMBL1539586 | 0.58 | CTSD (0.33) | — | |
| Hydrochloric Acid SCHEMBL710942 | 0.58 | CTSD (0.33) | — | |
| Hydrochloric Acid SCHEMBL149638 | 0.58 | CTSD (0.33) | — | |
| Chloromethane SCHEMBL8161132 | 0.57 | CTSD (0.32) | — | |
| Methyl Alcohol SCHEMBL5277411 | 0.57 | CTSD (0.32) | — | |
| Methane SCHEMBL8847115 | 0.57 | CTSD (0.32) | — | |
| Methylene Chloride SCHEMBL8847111 | 0.54 | CTSD (0.30) | — | |
| SCHEMBL1539694 | 0.54 | CTSD (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1708516-A | Synthesis of polymerization catalyst components | UNIVATION TECH LLC (US) | 2005-12-14 | — | — | CN | disclosed |