⚠ 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 | |
|---|---|---|---|---|
| Tiospirone SCHEMBL29356145 | 0.86 | — | — | |
| Tiospirone SCHEMBL78696 | 0.86 | — | — | |
| SCHEMBL9413652 | 0.85 | — | — | |
| Tiospirone SCHEMBL122406 | 0.85 | — | — | |
| SCHEMBL13532488 | 0.85 | — | — | |
| Tiospirone SCHEMBL11081111 | 0.84 | — | — | |
| SCHEMBL10470703 | 0.83 | HTR1A (0.63) | — | |
| SCHEMBL2546352 | 0.82 | DRD2 (0.67) | — | |
| Hydrochloric Acid SCHEMBL9377270 | 0.81 | HTR1A (0.68) | — | |
| Hydrochloric Acid SCHEMBL9596406 | 0.81 | HTR1A (0.68) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0623616-A1 | Heterocyclic compounds and process for the preparation thereof | EGIS GYOGYSZERGYAR RT. (HU) | 1994-11-09 | — | — | EP | disclosed |