⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11609739 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL22281355 | 0.64 | — | — | |
| SCHEMBL12346155 | 0.63 | — | — | |
| SCHEMBL27257684 | 0.61 | — | — | |
| SCHEMBL1123838 | 0.57 | — | — | |
| SCHEMBL20628691 | 0.57 | — | — | |
| SCHEMBL4121904 | 0.56 | — | — | |
| SCHEMBL22700122 | 0.55 | — | — | |
| SCHEMBL31164667 | 0.55 | — | — | |
| SCHEMBL11822086 | 0.53 | — | — |
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-20170290825-A1 | PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY | AGIOS PHARMACEUTICALS, INC. | 2017-10-12 | — | — | US | disclosed |