⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30094463 | 0.75 | — | — | |
| SCHEMBL6488206 | 0.75 | — | — | |
| SCHEMBL7066137 | 0.75 | HTR2A (0.32) | — | |
| SCHEMBL27908834 | 0.75 | — | — | |
| SCHEMBL7138440 | 0.72 | PRCP (0.38) | — | |
| Hydrochloric Acid SCHEMBL27601354 | 0.72 | — | — | |
| SCHEMBL7145701 | 0.71 | PRCP (0.44) | — | |
| SCHEMBL7145697 | 0.71 | PRCP (0.44) | — | |
| SCHEMBL7135643 | 0.71 | PRCP (0.33) | — | |
| SCHEMBL7144690 | 0.71 | JAK2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105073744-A | Novel heterocyclic compounds as bromodomain inhibitors | RVX THERAPEUTICS INC | 2015-11-18 | — | — | CN | disclosed |