⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10811791 | 0.81 | CA1 (0.34) | — | |
| SCHEMBL8267251 | 0.79 | KCNH2 (0.36) | — | |
| SCHEMBL10816179 | 0.78 | TDP1 (0.35) | — | |
| SCHEMBL11459808 | 0.73 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL10816523 | 0.71 | CCR2 (0.39) | — | |
| SCHEMBL24292423 | 0.69 | CHRM1 (0.40) | — | |
| SCHEMBL14037110 | 0.68 | GABRR1 (0.31) | — | |
| SCHEMBL19398818 | 0.66 | POLB (0.33) | — | |
| SCHEMBL12821087 | 0.64 | — | — | |
| SCHEMBL11296636 | 0.62 | HCAR2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017049211-A1 | OXIDATION CHEMISTRY ON FURAN ALDEHYDES | MICROMIDAS, INC. (US) | 2017-03-23 | — | — | WO | disclosed |
| US-7612070-B2 | Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-11-03 | — | — | US | disclosed |