⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2801431 | 0.85 | TSHR (0.32) | — | |
| SCHEMBL19842336 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL1874134 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL21130635 | 0.77 | — | — | |
| SCHEMBL13755873 | 0.76 | — | — | |
| SCHEMBL22296082 | 0.76 | — | — | |
| SCHEMBL19779630 | 0.76 | — | — | |
| SCHEMBL17607677 | 0.76 | — | — | |
| SCHEMBL4468978 | 0.75 | CYP2D6 (0.45) | — | |
| SCHEMBL22621379 | 0.73 | CYP2D6 (0.30) | — |
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-20110132837-A1 | Method and System for Treating Wastewater | CH2M HILL, INC. (US) | 2011-06-09 | — | — | US | disclosed |