⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19144961 | 0.85 | — | — | |
| SCHEMBL19165612 | 0.84 | — | — | |
| SCHEMBL19165054 | 0.84 | — | — | |
| SCHEMBL14872476 | 0.82 | HTR5A (0.31) | — | |
| SCHEMBL19165044 | 0.81 | — | — | |
| SCHEMBL19144956 | 0.80 | — | — | |
| SCHEMBL19144930 | 0.78 | ADORA3 (0.33) | — | |
| SCHEMBL19165601 | 0.77 | ESR1 (0.35) | — | |
| SCHEMBL19164895 | 0.76 | — | — | |
| SCHEMBL19145183 | 0.75 | — | — |
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-20170209394-A1 | Biguanide Compositions and Methods of Treating Metabolic Disorders | ANJI PHARMACEUTICALS INC. | 2017-07-27 | — | — | US | disclosed |