⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11789213 | 0.78 | — | — | |
| SCHEMBL11022013 | 0.77 | — | — | |
| SCHEMBL2403863 | 0.75 | — | — | |
| SCHEMBL12377629 | 0.73 | — | — | |
| SCHEMBL10716291 | 0.72 | — | — | |
| SCHEMBL10976033 | 0.72 | — | — | |
| Isopropyl Alcohol SCHEMBL814725 | 0.70 | — | — | |
| Phosphonic Acid SCHEMBL134920 | 0.70 | — | — | |
| SCHEMBL10716278 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL11022399 | 0.69 | ALDH1A1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120142636-A1 | NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME | BRISTOL-MYERS SQUIBB COMPANY | 2012-06-07 | — | — | US | disclosed |
| US-7910747-B2 | Phosphonate and phosphinate pyrazolylamide glucokinase activators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-03-22 | — | — | US | disclosed |
| US-20080009465-A1 | NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME | BRISTOL-MYERS SQUIBB COMPANY | 2008-01-10 | — | — | US | disclosed |