⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11165809 | 0.77 | POLB (0.31) | — | |
| SCHEMBL17624379 | 0.77 | OPRM1 (0.32) | — | |
| SCHEMBL15727561 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL313829 | 0.72 | GAA (0.33) | — | |
| SCHEMBL10792866 | 0.71 | USP2 (0.32) | — | |
| SCHEMBL20233675 | 0.70 | — | — | |
| SCHEMBL17624376 | 0.68 | — | — | |
| SCHEMBL27397827 | 0.68 | CYP2D6 (0.31) | — | |
| SCHEMBL17624366 | 0.66 | — | — | |
| SCHEMBL25122527 | 0.66 | NPC1 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170305922-A1 | CARM1 INHIBITORS AND USES THEREOF | Epizyme, Inc. (US) | 2017-10-26 | — | — | US | disclosed |
| WO-2016044604-A1 | CARM1 INHIBITORS AND USES THEREOF | Epizyme, Inc. (US) | 2016-03-24 | — | — | WO | disclosed |