⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5103257 | 0.83 | RBP4 (0.35) | — | |
| SCHEMBL27706479 | 0.83 | ROCK2 (0.35) | — | |
| SCHEMBL27706491 | 0.80 | CYP11B1 (0.38) | — | |
| SCHEMBL28765769 | 0.80 | — | — | |
| SCHEMBL5094787 | 0.79 | NISCH (0.32) | — | |
| SCHEMBL27706480 | 0.78 | CHRM2 (0.31) | — | |
| SCHEMBL5090837 | 0.77 | DRD2 (0.39) | — | |
| SCHEMBL4507773 | 0.76 | PRCP (0.32) | — | |
| SCHEMBL4521626 | 0.75 | SLC6A2 (0.30) | — | |
| SCHEMBL5091888 | 0.75 | KDM4E (0.36) | — |
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-101128458-A | Tricyclic delta opioid modulators | JANSSEN PHARMACEUTICA NV (BE) | 2008-02-20 | — | — | CN | disclosed |