⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24909709 | 0.89 | AKR1B1 (0.30) | — | |
| SCHEMBL24909369 | 0.76 | HTR7 (0.36) | — | |
| SCHEMBL24909399 | 0.75 | HTR7 (0.36) | — | |
| SCHEMBL23386063 | 0.71 | — | — | |
| SCHEMBL9963434 | 0.70 | CYP2D6 (0.33) | — | |
| SCHEMBL91226 | 0.67 | CA1 (0.31) | — | |
| SCHEMBL20117319 | 0.66 | HTR7 (0.31) | — | |
| SCHEMBL19036980 | 0.64 | ACACB (0.30) | — | |
| SCHEMBL24850919 | 0.64 | — | — | |
| SCHEMBL24909463 | 0.60 | HTR7 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230025932-A1 | NOVEL FUNCTIONALIZED LACTONES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE | PRAEVENTIX, LLC | 2023-01-26 | — | — | US | disclosed |