⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29378176 | 0.82 | — | — | |
| SCHEMBL28325110 | 0.82 | — | — | |
| SCHEMBL28243352 | 0.82 | — | — | |
| SCHEMBL33670 | 0.82 | — | — | |
| SCHEMBL7533193 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL12495406 | 0.67 | — | — | |
| SCHEMBL10762299 | 0.67 | — | — | |
| SCHEMBL9770966 | 0.67 | — | — | |
| Hydrogen Sulfide SCHEMBL8621934 | 0.67 | — | — | |
| Fluoride SCHEMBL8657445 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2002180119-A | REFINING AGENT FOR MOLTEN IRON | SHINAGAWA REFRACT CO LTD | 2002-06-26 | — | — | JP | disclosed |