⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28825122 | 0.79 | NAAA (0.34) | — | |
| SCHEMBL9107078 | 0.79 | NAAA (0.32) | — | |
| SCHEMBL8107203 | 0.76 | — | — | |
| SCHEMBL9103020 | 0.76 | — | — | |
| SCHEMBL6941234 | 0.75 | EPHX1 (0.31) | — | |
| SCHEMBL13604518 | 0.75 | — | — | |
| SCHEMBL6941236 | 0.73 | — | — | |
| SCHEMBL10397589 | 0.71 | CHRM2 (0.36) | — | |
| SCHEMBL8103803 | 0.71 | — | — | |
| SCHEMBL20118545 | 0.71 | ATM (0.41) | — |
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-4975519-A | Novel polyacetal terpolymers of trioxane and alpha, alpha- and alpha, beta-isomers of glycerol formal and functional derivatives thereof | HOECHST CELANESE CORPORATION (US) | 1990-12-04 | — | — | US | disclosed |
| EP-0398585-A2 | Novel polyacetal terpolymers of trioxane and alpha, alpha-and alpha, beta-isomers of glycerol formal and functional derivatives thereof | HOECHST CELANESE CORPORATION (US) | 1990-11-22 | — | — | EP | disclosed |