⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16866819 | 0.84 | APLNR (0.31) | — | |
| SCHEMBL25484198 | 0.82 | — | — | |
| SCHEMBL18506406 | 0.79 | — | — | |
| SCHEMBL25484195 | 0.76 | — | — | |
| SCHEMBL18506408 | 0.75 | — | — | |
| SCHEMBL25629217 | 0.75 | GRIN2D (0.30) | — | |
| SCHEMBL14067569 | 0.73 | GAA (0.37) | — | |
| SCHEMBL25543859 | 0.72 | DEGS1 (0.31) | — | |
| SCHEMBL25548051 | 0.72 | DEGS1 (0.31) | — | |
| SCHEMBL25484152 | 0.71 | — | — |
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-20230373934-A1 | ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE | ESSA PHARMA INC. (CA) | 2023-11-23 | — | — | US | disclosed |
| US-20160159815-A1 | Fused Piperidine Amides as Modulators of Ion Channels | VERTEX PHARMACEUTICALS INCORPORATED | 2016-06-09 | — | — | US | disclosed |