⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27925173 | 0.61 | — | — | |
| Sulfuric Acid SCHEMBL5873188 | 0.59 | — | — | |
| SCHEMBL10145369 | 0.59 | — | — | |
| SCHEMBL11568858 | 0.58 | — | — | |
| SCHEMBL30557828 | 0.52 | — | — | |
| Methanesulfonic Acid Methyl Ester SCHEMBL28434921 | 0.48 | USP2 (0.56) | — | |
| SCHEMBL26836129 | 0.48 | — | — | |
| SCHEMBL17432177 | 0.47 | — | — | |
| Methanesulfonic Acid Methyl Ester SCHEMBL573583 | 0.47 | — | — | |
| Methanesulfonic Acid Methyl Ester SCHEMBL16060132 | 0.47 | USP2 (1.00) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8093253-B2 | Leukotriene B4 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2012-01-10 | — | — | US | disclosed |
| US-20090227603-A1 | LEUKOTRIENE B4 INHIBITORS | DOMINIQUE ROMYR | 2009-09-10 | — | — | US | disclosed |