⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10373554 | 0.75 | NPSR1 (0.33) | — | |
| SCHEMBL4763149 | 0.72 | KDM4E (0.38) | — | |
| SCHEMBL9621343 | 0.72 | XDH (0.31) | — | |
| SCHEMBL7029592 | 0.71 | KDM4E (0.38) | — | |
| SCHEMBL10373721 | 0.69 | PDE4B (0.32) | — | |
| SCHEMBL4558725 | 0.65 | GABRA1 (0.34) | — | |
| SCHEMBL14818688 | 0.65 | — | — | |
| SCHEMBL3856071 | 0.64 | NPSR1 (0.30) | — | |
| SCHEMBL27250044 | 0.63 | — | — | |
| SCHEMBL3856069 | 0.63 | NPSR1 (0.31) | — |
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-2023122267-A2 | SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION | JNANA THERAPEUTICS INC. (US) | 2023-06-29 | — | — | WO | disclosed |