⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21518544 | 0.66 | ALDH1A1 (0.30) | — | |
| SCHEMBL24984203 | 0.65 | — | — | |
| SCHEMBL14305091 | 0.64 | — | — | |
| SCHEMBL17993358 | 0.64 | — | — | |
| SCHEMBL24440646 | 0.62 | — | — | |
| SCHEMBL21340060 | 0.62 | — | — | |
| SCHEMBL21510964 | 0.62 | — | — | |
| SCHEMBL13067163 | 0.60 | — | — | |
| SCHEMBL21500763 | 0.60 | — | — | |
| SCHEMBL17059442 | 0.59 | — | — |
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-2019079485-A1 | AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND DERIVATIVES THEREOF | Epizyme, Inc. (US) | 2019-04-25 | — | — | WO | disclosed |