⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL607435 | 1.00 | SI (0.41) | — | |
| SCHEMBL31285329 | 1.00 | — | — | |
| SCHEMBL5052791 | 1.00 | — | — | |
| SCHEMBL924098 | 1.00 | — | — | |
| SCHEMBL1864394 | 1.00 | — | — | |
| SCHEMBL4813497 | 1.00 | — | — | |
| SCHEMBL14347141 | 0.83 | — | — | |
| SCHEMBL8749649 | 0.83 | — | — | |
| SCHEMBL3795114 | 0.83 | — | — | |
| SCHEMBL8215655 | 0.83 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014079136-A1 | COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES AS GLUTAMINASE INHIBITORS FOR TREATING CANCERS THEREOF | AGIOS PHARMACEUTICALS, INC. (US) | 2014-05-30 | — | — | WO | disclosed |
| WO-2014079011-A1 | HETEROCYCLIC COMPOUNDS FOR INHIBITING GLUTAMINASE AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2014-05-30 | — | — | WO | disclosed |
| EP-1628533-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2006-03-01 | — | — | EP | disclosed |
| WO-2004106493-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2004-12-09 | — | — | WO | disclosed |