⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10070301 | 0.78 | — | — | |
| SCHEMBL10439800 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL17077928 | 0.74 | — | — | |
| SCHEMBL10533140 | 0.72 | HDAC8 (0.50) | — | |
| Hydrochloric Acid SCHEMBL10532035 | 0.67 | DBH (0.47) | — | |
| SCHEMBL10533412 | 0.65 | DBH (0.55) | — | |
| SCHEMBL3082728 | 0.65 | — | — | |
| SCHEMBL16195505 | 0.61 | MTNR1A (0.55) | — | |
| SCHEMBL7155287 | 0.59 | — | — | |
| SCHEMBL6647390 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1433297-A | Topical compositions comprising protected functional thiols | PROCTER & GAMBLE (US) | 2003-07-30 | — | — | CN | disclosed |