⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL189693 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL283187 | 0.86 | — | — | |
| SCHEMBL8074138 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL23531965 | 0.82 | — | — | |
| Acetic Acid SCHEMBL7862250 | 0.70 | FFAR3 (0.47) | — | |
| SCHEMBL1503296 | 0.67 | — | — | |
| SCHEMBL187181 | 0.67 | GAA (0.35) | — | |
| SCHEMBL8214060 | 0.67 | — | — | |
| SCHEMBL122036 | 0.67 | — | — | |
| SCHEMBL20804443 | 0.65 | — | — |
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-2000042079-A1 | STERICALLY-HINDERED ALKYL HYDROXYLAMINES FOR SCAVENGING OF FREE RADICALS | ANGUS CHEMICAL COMPANY (US) | 2000-07-20 | — | — | WO | disclosed |