⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5686826 | 1.00 | — | — | |
| Water SCHEMBL11312398 | 0.96 | — | — | |
| Benzene SCHEMBL10352412 | 0.90 | CYP1A2 (0.33) | — | |
| SCHEMBL6533335 | 0.81 | — | — | |
| SCHEMBL6435674 | 0.81 | — | — | |
| Acrylamide SCHEMBL19713113 | 0.79 | ALDH1A1 (0.52) | — | |
| SCHEMBL28830849 | 0.79 | TSHR (0.32) | — | |
| Hydrochloric Acid SCHEMBL11208891 | 0.78 | — | — | |
| SCHEMBL5197934 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL19713106 | 0.77 | BBOX1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003087053-A2 | REAGENT AND PROCESS FOR PROTECTING NUCLEOSIDE ACTIVE GROUPS | ISIS PHARMACEUTICALS, INC. (US) | 2003-10-23 | — | — | WO | disclosed |