⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16469013 | 0.89 | — | — | |
| SCHEMBL83493 | 0.89 | — | — | |
| Water SCHEMBL9684502 | 0.84 | LMNA (0.44) | — | |
| Hydrogen Peroxide SCHEMBL27948378 | 0.80 | TSHR (0.46) | — | |
| Hydrogen Peroxide SCHEMBL9341267 | 0.80 | TSHR (0.46) | — | |
| SCHEMBL15508582 | 0.79 | — | — | |
| SCHEMBL15318526 | 0.79 | — | — | |
| SCHEMBL8051981 | 0.79 | — | — | |
| SCHEMBL354894 | 0.79 | — | — | |
| SCHEMBL25441738 | 0.77 | ALDH1A1 (0.53) | — |
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-6515124-B2 | (Z)-2-((2-bromo-4-(((3-hydroxybenzyl)amino)carbonyl)benzoyl) -amino)pent-2-enoic acid, for example; useful for treating psoriasis | HOFFMAN-LA ROCHE INC. | 2003-02-04 | — | — | US | disclosed |