⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9980677 | 0.78 | — | — | |
| SCHEMBL11179115 | 0.75 | — | — | |
| SCHEMBL2849012 | 0.64 | — | — | |
| SCHEMBL10777646 | 0.63 | — | — | |
| SCHEMBL11275033 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL29131160 | 0.58 | — | — | |
| SCHEMBL1081888 | 0.58 | — | — | |
| SCHEMBL4645682 | 0.58 | — | — | |
| SCHEMBL5480274 | 0.58 | — | — | |
| SCHEMBL2285930 | 0.58 | — | — |
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-5563251-A | Process for making surfactants | CONDEA VISTA COMPANY (US) | 1996-10-08 | — | — | US | disclosed |