⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18561333 | 0.74 | UHRF1 (0.36) | — | |
| SCHEMBL19033521 | 0.73 | — | — | |
| SCHEMBL21738334 | 0.69 | IRAK4 (0.35) | — | |
| SCHEMBL10912802 | 0.68 | SRC (0.46) | — | |
| SCHEMBL21672681 | 0.67 | ATM (0.33) | — | |
| SCHEMBL26441206 | 0.67 | KDM4E (0.37) | — | |
| SCHEMBL25450371 | 0.66 | SIGMAR1 (0.33) | — | |
| SCHEMBL25590825 | 0.66 | SRC (0.35) | — | |
| SCHEMBL14031768 | 0.66 | HTR1D (0.38) | — | |
| SCHEMBL4567536 | 0.66 | SRC (0.35) | — |
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-20200039998-A1 | AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF | Epizyme, Inc. | 2020-02-06 | — | — | US | disclosed |