⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9425041 | 1.00 | — | — | |
| Water SCHEMBL7688869 | 0.99 | — | — | |
| Maleic Acid SCHEMBL7687399 | 0.92 | — | — | |
| SCHEMBL9424905 | 0.82 | GRM5 (0.55) | — | |
| Water SCHEMBL7684885 | 0.81 | GRM5 (0.54) | — | |
| SCHEMBL7682646 | 0.80 | CYP2C9 (0.39) | — | |
| SCHEMBL7687493 | 0.80 | CYP2C9 (0.39) | — | |
| SCHEMBL7680868 | 0.80 | CYP2C9 (0.39) | — | |
| SCHEMBL7686912 | 0.80 | CYP2C9 (0.39) | — | |
| SCHEMBL7686643 | 0.80 | CYP2C9 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5360811-A | 1-alkyl-, 1-alkenyl-, and 1-alkynylaryl-2-amino-1,3-propanediols and related compounds as anti-inflammatory agents | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1994-11-01 | — | — | US | claimed |