⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17810285 | 0.88 | POLB (0.34) | — | |
| SCHEMBL17814965 | 0.85 | KDM4E (0.32) | — | |
| SCHEMBL17814961 | 0.83 | MAPT (0.31) | — | |
| SCHEMBL17810284 | 0.81 | MAPT (0.33) | — | |
| SCHEMBL17810283 | 0.76 | MAPT (0.30) | — | |
| SCHEMBL17814932 | 0.76 | SLC1A3 (0.31) | — | |
| SCHEMBL17810286 | 0.71 | SLC1A3 (0.46) | — | |
| SCHEMBL20873145 | 0.71 | ADRB2 (0.34) | — | |
| SCHEMBL17814976 | 0.70 | HPGD (0.33) | — | |
| SCHEMBL17810313 | 0.68 | POLB (0.49) | — |
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-20160159660-A1 | SILICON CONTAINING POLYMER FLOCCULANTS | CYTEC INDUSTRIES INC. (US) | 2016-06-09 | — | — | US | disclosed |