⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL194603 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL15412898 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL29148029 | 0.70 | — | — | |
| SCHEMBL21560401 | 0.67 | — | — | |
| SCHEMBL156371 | 0.65 | — | — | |
| SCHEMBL17216833 | 0.63 | — | — | |
| SCHEMBL17216836 | 0.63 | — | — | |
| SCHEMBL28024525 | 0.63 | — | — | |
| SCHEMBL6377396 | 0.63 | — | — | |
| SCHEMBL531924 | 0.61 | — | — |
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-5491159-A | INHIBIT OXIDATIVE MODIFICATION OF LOW DENSITY LIPOPROTEINS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-02-13 | — | — | US | disclosed |