⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15884785 | 0.81 | IRAK4 (0.32) | — | |
| SCHEMBL12970567 | 0.79 | — | — | |
| SCHEMBL26388323 | 0.77 | — | — | |
| SCHEMBL26030617 | 0.76 | — | — | |
| SCHEMBL15884297 | 0.76 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL2184630 | 0.76 | KDM4E (0.35) | — | |
| SCHEMBL17247576 | 0.73 | USP2 (0.31) | — | |
| SCHEMBL17786799 | 0.73 | GAA (0.40) | — | |
| SCHEMBL10665972 | 0.73 | GAA (0.40) | — | |
| Hydrochloric Acid SCHEMBL10665980 | 0.72 | GAA (0.39) | — |
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-2023192901-A9 | QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS | ESCIENT PHARMACEUTICALS, INC. (US) | 2023-12-14 | — | — | WO | disclosed |
| WO-2023192901-A1 | QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS | ESCIENT PHARMACEUTICALS, INC. (US) | 2023-10-05 | — | — | WO | disclosed |