⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21055750 | 0.89 | TDO2 (0.41) | — | |
| SCHEMBL21055742 | 0.86 | — | — | |
| SCHEMBL21055741 | 0.84 | — | — | |
| SCHEMBL735152 | 0.80 | — | — | |
| SCHEMBL21055754 | 0.80 | HTR7 (0.44) | — | |
| SCHEMBL6217564 | 0.79 | — | — | |
| SCHEMBL8098927 | 0.78 | HTR7 (0.48) | — | |
| SCHEMBL6216580 | 0.77 | HTR7 (0.51) | — | |
| SCHEMBL6502271 | 0.77 | HTR7 (0.51) | — | |
| SCHEMBL6600616 | 0.76 | — | — |
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-2019113110-A2 | MODULATION OF AMPA/KAINATE RECEPTORS FOR THE TREATMENT OF HYPOGLYCEMIA | VANDERKLISH PETER (US) | 2019-06-13 | — | — | WO | disclosed |