⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16886124 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL4630750 | 0.78 | DGAT1 (0.39) | — | |
| SCHEMBL15613624 | 0.77 | NOTUM (0.33) | — | |
| SCHEMBL14355778 | 0.68 | TYMP (0.45) | — | |
| SCHEMBL3275984 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL2550200 | 0.63 | DGAT1 (0.41) | — | |
| SCHEMBL4464645 | 0.62 | ALPL (0.34) | — | |
| SCHEMBL24042389 | 0.62 | — | — | |
| SCHEMBL21266184 | 0.62 | — | — | |
| SCHEMBL15259356 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013177668-A1 | PROTEIN KINASE INHIBITORS | PHARMASCIENCE, INC. (CA) | 2013-12-05 | — | — | WO | disclosed |