⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10422445 | 0.79 | MEN1 (0.31) | — | |
| SCHEMBL9014946 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL9014981 | 0.70 | CHRM1 (0.30) | — | |
| SCHEMBL9621365 | 0.69 | PTGDR (0.35) | — | |
| SCHEMBL9761642 | 0.68 | PTGS1 (0.30) | — | |
| SCHEMBL9761647 | 0.67 | PTGS1 (0.37) | — | |
| SCHEMBL466258 | 0.62 | TSHR (0.31) | — | |
| SCHEMBL4418029 | 0.61 | THRB (0.32) | — | |
| SCHEMBL9014778 | 0.59 | — | — | |
| SCHEMBL9848753 | 0.58 | ALDH1A1 (0.36) | — |
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-5578596-A | TREATMENT OF SEROTONERGIC NEURON RELATED DISEASES, MOTION SICKNESS, ANXIXETY, DEPRESSION | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1996-11-26 | — | — | US | disclosed |