⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14996458 | 1.00 | — | — | |
| SCHEMBL12807629 | 1.00 | — | — | |
| SCHEMBL21703669 | 1.00 | — | — | |
| SCHEMBL18663780 | 1.00 | — | — | |
| SCHEMBL19734421 | 1.00 | — | — | |
| SCHEMBL18663740 | 1.00 | — | — | |
| SCHEMBL28957783 | 0.82 | GBA1 (0.35) | — | |
| SCHEMBL12778007 | 0.82 | GBA1 (0.35) | — | |
| SCHEMBL1547371 | 0.82 | CCR5 (0.32) | — | |
| SCHEMBL5228403 | 0.82 | CCR5 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200048195-A1 | SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS | Epizyme, Inc. | 2020-02-13 | — | — | US | disclosed |
| US-20190322660-A1 | SMYD INHIBITORS | Epizyme, Inc. | 2019-10-24 | — | — | US | disclosed |
| US-20170362191-A1 | Substituted Cyclohexylamine Compounds | Epizyme, Inc. (US) | 2017-12-21 | — | — | US | disclosed |