⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11133396 | 0.81 | — | — | |
| SCHEMBL9563372 | 0.81 | THRB (0.31) | — | |
| Fluoride SCHEMBL9385937 | 0.79 | THRB (0.30) | — | |
| SCHEMBL22305023 | 0.71 | — | — | |
| SCHEMBL2152702 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL7650276 | 0.68 | — | — | |
| SCHEMBL2269852 | 0.67 | CES2 (0.32) | — | |
| SCHEMBL9999407 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL28650234 | 0.65 | — | — | |
| SCHEMBL593298 | 0.65 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6491903-B1 | NARROW MOLECULAR WEIGHT DISTRIBUTION SHELL-CORE POLYMERS HAVING HYDROPHILIC, CROSSLINKED PERMEABLE SHELLS AND HYDROPHOBIC CORES, USED FOR REDUCING BLOOD CHOLESTEROL AND BILE ACID UPTAKE IN INTERSTINES; DRUG DELIVERY | WASHINGTON UNIVERSITY | 2002-12-10 | — | — | US | disclosed |
| US-6383500-B1 | Particles comprising amphiphilic copolymers, having a crosslinked shell domain and an interior core domain, useful for pharmaceutical and other applications | WASHINGTON UNIVERSITY | 2002-05-07 | — | — | US | disclosed |