⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3633069 | 0.77 | GABRA1 (0.30) | — | |
| SCHEMBL25407557 | 0.72 | APOBEC3A (0.34) | — | |
| SCHEMBL25412020 | 0.72 | NR1H2 (0.32) | — | |
| SCHEMBL25410698 | 0.71 | — | — | |
| SCHEMBL3589332 | 0.68 | — | — | |
| SCHEMBL11735118 | 0.68 | — | — | |
| SCHEMBL970544 | 0.67 | — | — | |
| SCHEMBL596247 | 0.67 | — | — | |
| SCHEMBL7573152 | 0.67 | CCR1 (0.40) | — | |
| SCHEMBL30585580 | 0.67 | CCR1 (0.40) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103209955-A | Method for producing benzoic acid esters | DAIICHI SANKYO CO LTD | 2013-07-17 | — | — | CN | disclosed |
| US-20090186918-A1 | Triazole Compounds as Lipoxygenase Inhibitors | BIOLIPOX AB (SE) | 2009-07-23 | — | — | US | disclosed |
| US-20090143440-A1 | Pyrazoles Useful in the Treatment of Inflammation | BIOLIPOX AB (SE) | 2009-06-04 | — | — | US | disclosed |
| EP-1943234-A1 | TRIAZOLE COMPOUNDS AS LIPOXYGENASE INHIBITORS | Biolipox AB (SE) | 2008-07-16 | — | — | EP | disclosed |
| EP-1943241-A1 | PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION | Biolipox AB (SE) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007051981-A1 | PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION | BIOLIPOX AB (SE) | 2007-05-10 | — | — | WO | disclosed |
| WO-2007051982-A1 | TRIAZOLE COMPOUNDS AS LIPOXYGENASE INHIBITORS | BIOLIPOX AB (SE) | 2007-05-10 | — | — | WO | disclosed |