⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7515263 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL7515261 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL5813853 | 0.72 | HMGCR (0.46) | — | |
| SCHEMBL23182420 | 0.64 | TSHR (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL27983852 | 0.62 | ALDH1A1 (0.36) | — | |
| SCHEMBL25657505 | 0.61 | TSHR (0.32) | — | |
| SCHEMBL7570988 | 0.61 | — | — | |
| SCHEMBL497915 | 0.60 | — | — | |
| SCHEMBL406748 | 0.60 | LMNA (0.31) | — | |
| SCHEMBL18482381 | 0.59 | CHRM2 (0.32) | — |
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-20040197274-A1 | Methods and apparatus for therapeutic treatment of respiratory, cardiac and other pathologies | FEIN HARRY (US) | 2004-10-07 | — | — | US | claimed |