⚠ 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 SCHEMBL1485872 | 0.82 | — | — | |
| SCHEMBL11029091 | 0.71 | — | — | |
| SCHEMBL9680949 | 0.71 | — | — | |
| SCHEMBL8636316 | 0.71 | — | — | |
| SCHEMBL9681539 | 0.71 | — | — | |
| SCHEMBL1532368 | 0.71 | — | — | |
| SCHEMBL8482679 | 0.71 | — | — | |
| SCHEMBL15631 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL9245193 | 0.71 | — | — | |
| SCHEMBL9683268 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5153172-A | Method for in-situ prevention of stable barium carbonate formation in high Tc ceramic superconductor including the use of iodine or an iodine containing compound | GENERAL ATOMICS (US) | 1992-10-06 | — | — | US | disclosed |