⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21473976 | 0.76 | MEN1 (0.30) | — | |
| SCHEMBL7051974 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL1092722 | 0.68 | — | — | |
| SCHEMBL516539 | 0.66 | MAPK1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL9793491 | 0.65 | — | — | |
| SCHEMBL28872748 | 0.64 | MAPK1 (0.38) | — | |
| SCHEMBL13078441 | 0.63 | — | — | |
| SCHEMBL6673656 | 0.62 | TSHR (0.43) | — | |
| SCHEMBL2889072 | 0.61 | — | — | |
| SCHEMBL50175 | 0.61 | — | — |
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-20190316062-A1 | PHOSPHATE-FREE DETERGENT COMPOSITIONS AND THEIR APPLICATIONS | BASF PERSONAL CARE AND NUTRITION GMBH (DE) | 2019-10-17 | — | — | US | disclosed |