⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16091227 | 0.83 | TKT (0.32) | — | |
| SCHEMBL16090189 | 0.72 | NOS2 (0.32) | — | |
| SCHEMBL16089515 | 0.72 | — | — | |
| SCHEMBL17622758 | 0.71 | CYP1A2 (0.33) | — | |
| SCHEMBL17623469 | 0.69 | CHEK1 (0.30) | — | |
| SCHEMBL17623157 | 0.68 | KDR (0.31) | — | |
| SCHEMBL17623004 | 0.67 | MAPK13 (0.32) | — | |
| SCHEMBL16091376 | 0.67 | KDM4E (0.32) | — | |
| SCHEMBL16091155 | 0.66 | CYP1A2 (0.36) | — | |
| SCHEMBL16091488 | 0.65 | ACACB (0.32) | — |
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-2014144169-A1 | CARM1 INHIBITORS AND USES THEREOF | Epizyme, Inc. (US) | 2014-09-18 | — | — | WO | disclosed |