⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4972910 | 0.74 | — | — | |
| SCHEMBL3350128 | 0.70 | — | — | |
| SCHEMBL18305283 | 0.70 | — | — | |
| SCHEMBL6182001 | 0.67 | — | — | |
| SCHEMBL3920447 | 0.65 | — | — | |
| SCHEMBL19489328 | 0.58 | — | — | |
| SCHEMBL14612470 | 0.58 | — | — | |
| SCHEMBL4598381 | 0.54 | — | — | |
| SCHEMBL22415188 | 0.53 | — | — | |
| SCHEMBL4873924 | 0.52 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2448581-A1 | THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE | Agios Pharmaceuticals, Inc. (US) | 2012-05-09 | — | — | EP | disclosed |
| WO-2011002816-A1 | THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | WO | disclosed |