⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19052338 | 0.77 | SLC6A2 (0.34) | — | |
| SCHEMBL20792846 | 0.74 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL13715496 | 0.74 | — | — | |
| SCHEMBL10125744 | 0.74 | DPP4 (0.37) | — | |
| SCHEMBL21659055 | 0.72 | DPP4 (0.32) | — | |
| SCHEMBL11146994 | 0.71 | EPHX1 (0.42) | — | |
| SCHEMBL13569805 | 0.69 | — | — | |
| SCHEMBL14865240 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL14198716 | 0.69 | CYP2D6 (0.34) | — | |
| SCHEMBL20824936 | 0.69 | HRH1 (0.53) | — |
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-10710061-B2 | Ion pair catalysis of tungstate and molybdate | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2020-07-14 | — | — | US | disclosed |