⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31750162 | 0.81 | POLB (0.30) | — | |
| SCHEMBL31750246 | 0.81 | SLC16A3 (0.33) | — | |
| SCHEMBL31750474 | 0.77 | HTR2C (0.30) | — | |
| SCHEMBL31750137 | 0.77 | SCN9A (0.31) | — | |
| SCHEMBL31750397 | 0.75 | GAA (0.33) | — | |
| SCHEMBL31751091 | 0.73 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL31751095 | 0.73 | HTR2C (0.34) | — | |
| SCHEMBL1259595 | 0.61 | HDAC6 (0.34) | — | |
| SCHEMBL22863280 | 0.61 | AKR1B1 (0.45) | — | |
| SCHEMBL29652242 | 0.61 | AKR1B1 (0.45) | — |
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-2025262250-A1 | GUANFACINE DERIVATIVES AND THEIR USES | NEGIO THERAPEUTICS (BE) | 2025-12-26 | — | — | WO | disclosed |