⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9320317 | 1.00 | — | — | |
| SCHEMBL9321064 | 0.94 | — | — | |
| SCHEMBL9123850 | 0.89 | LMNA (0.56) | — | |
| SCHEMBL9126082 | 0.89 | — | — | |
| SCHEMBL9321108 | 0.87 | ALDH1A1 (0.57) | — | |
| SCHEMBL9323157 | 0.87 | ALDH1A1 (0.57) | — | |
| SCHEMBL9323114 | 0.86 | QPCT (0.49) | — | |
| SCHEMBL9320209 | 0.86 | EPHX2 (0.58) | — | |
| SCHEMBL9321060 | 0.84 | EPHX2 (0.52) | — | |
| SCHEMBL9321069 | 0.84 | EPHX2 (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0282127-B1 | Beta-aminoethyl-substituted phenyl compounds, and anti-inflammatory or analgesic compositions containing them | PROCTER & GAMBLE (US) | 1994-02-02 | — | — | EP | disclosed |
| US-5099030-A | Phenols or phenolic ethers | THE PROCTER & GAMBLE COMPANY (US) | 1992-03-24 | — | — | US | disclosed |
| US-5045565-A | Novel compounds, pharmaceutical compositions, and methods for treating inflammation and pain | THE PROCTER & GAMBLE COMPANY (US) | 1991-09-03 | — | — | US | disclosed |