⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9387362 | 0.93 | SLC6A3 (0.38) | — | |
| SCHEMBL12300812 | 0.81 | MC4R (0.36) | — | |
| SCHEMBL6893175 | 0.79 | SIGMAR1 (0.36) | — | |
| SCHEMBL27133921 | 0.79 | — | — | |
| SCHEMBL26187272 | 0.74 | — | — | |
| SCHEMBL22701318 | 0.74 | SLC6A3 (0.35) | — | |
| SCHEMBL4089166 | 0.72 | FDPS (0.31) | — | |
| SCHEMBL5709265 | 0.69 | SLC6A3 (0.39) | — | |
| SCHEMBL898138 | 0.69 | SLC6A3 (0.39) | — | |
| SCHEMBL5316915 | 0.68 | DPP7 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010059393-A1 | SEROTONIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2010-05-27 | — | — | WO | disclosed |