⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5415059 | 1.00 | — | — | |
| SCHEMBL3300570 | 0.72 | ALOX5 (0.33) | — | |
| SCHEMBL1927455 | 0.70 | KMT2A (0.34) | — | |
| SCHEMBL1975155 | 0.70 | MEN1 (0.33) | — | |
| SCHEMBL18169551 | 0.69 | CDC7 (0.33) | — | |
| SCHEMBL6356694 | 0.67 | — | — | |
| SCHEMBL4323595 | 0.66 | EPHX1 (0.32) | — | |
| SCHEMBL17162166 | 0.66 | EPHX1 (0.44) | — | |
| SCHEMBL17162167 | 0.66 | EPHX1 (0.44) | — | |
| SCHEMBL2496650 | 0.65 | L3MBTL1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070249670-A1 | Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof | SMITHKLINE BEECHAM CORPORATION (US) | 2007-10-25 | — | — | US | disclosed |