⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8192178 | 0.91 | — | — | |
| SCHEMBL8193171 | 0.91 | CTSK (0.32) | — | |
| SCHEMBL8193585 | 0.90 | CTSK (0.34) | — | |
| SCHEMBL15732817 | 0.79 | CTSK (0.31) | — | |
| SCHEMBL10433960 | 0.77 | CTSK (0.33) | — | |
| SCHEMBL14183043 | 0.76 | — | — | |
| SCHEMBL10314759 | 0.74 | — | — | |
| SCHEMBL10314753 | 0.74 | — | — | |
| SCHEMBL2614395 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL14183046 | 0.73 | — | — |
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-6110903-A | INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE AT THE AMP SITE; ADMINISTERING TO TREAT DIABETES AND INHIBIT GLUCONEOGENESIS; 5-FLUORO-7-BROMO-1-ISOBUTYL-2-(2-PHOSPHONO-5-FURANYL) BENZIMIDAZOLE, FOR EXAMPLE | SANKYO COMPANY LTD. (JP) | 2000-08-29 | — | — | US | disclosed |