⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4953851 | 0.83 | PTPN1 (0.31) | — | |
| SCHEMBL3140271 | 0.79 | — | — | |
| SCHEMBL18413318 | 0.77 | TRPA1 (0.47) | — | |
| SCHEMBL18231548 | 0.75 | HIF1A (0.33) | — | |
| SCHEMBL21945926 | 0.74 | GABBR1 (0.31) | — | |
| SCHEMBL4582309 | 0.71 | PTPN1 (0.32) | — | |
| SCHEMBL12026420 | 0.70 | KDM5B (0.37) | — | |
| SCHEMBL4764035 | 0.70 | PTPN1 (0.31) | — | |
| SCHEMBL14530586 | 0.70 | PTPN1 (0.31) | — | |
| SCHEMBL30149939 | 0.69 | — | — |
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-2021160127-A1 | HETEROCYCLIC GLP-1 AGONISTS | GASHERBRUM BIO, INC. (US) | 2021-08-19 | — | — | WO | disclosed |