⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8550113 | 0.81 | NLRP3 (0.39) | — | |
| SCHEMBL2422200 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL10477034 | 0.77 | PTGS1 (0.36) | — | |
| SCHEMBL7472646 | 0.76 | POLB (0.42) | — | |
| SCHEMBL6656338 | 0.75 | — | — | |
| SCHEMBL9889022 | 0.75 | CA2 (0.45) | — | |
| SCHEMBL9888836 | 0.75 | CA2 (0.45) | — | |
| SCHEMBL13486833 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL14839605 | 0.75 | CA2 (0.45) | — | |
| SCHEMBL25374005 | 0.73 | USP2 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1783137-A1 | GALACTOSE DERIVATIVE, DRUG CARRIER AND MEDICINAL COMPOSITION | Nippon Shinyaku Co., Ltd. (JP) | 2007-05-09 | — | — | EP | disclosed |