⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7528493 | 0.88 | TSHR (0.37) | — | |
| SCHEMBL5985979 | 0.84 | DNM1 (0.35) | — | |
| SCHEMBL1240187 | 0.82 | DNM1 (0.44) | — | |
| SCHEMBL9179374 | 0.81 | CA12 (0.36) | — | |
| SCHEMBL7920911 | 0.80 | DNM1 (0.48) | — | |
| SCHEMBL1241227 | 0.80 | DNM1 (0.42) | — | |
| SCHEMBL1403907 | 0.80 | DNM1 (0.48) | — | |
| SCHEMBL18941461 | 0.80 | DNM1 (0.48) | — | |
| SCHEMBL9161823 | 0.80 | DNM1 (0.48) | — | |
| SCHEMBL7191932 | 0.79 | — | — |
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-2016044641-A2 | CARM1 INHIBITORS AND USES THEREOF | Epizyme, Inc. (US) | 2016-03-24 | — | — | WO | disclosed |