⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10427980 | 0.73 | — | — | |
| SCHEMBL3056770 | 0.69 | — | — | |
| SCHEMBL5702404 | 0.69 | — | — | |
| SCHEMBL6995763 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL29012668 | 0.67 | MAPK1 (0.32) | — | |
| SCHEMBL10906752 | 0.67 | LMNA (0.33) | — | |
| Water SCHEMBL10732046 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL14876677 | 0.67 | — | — | |
| SCHEMBL113474 | 0.65 | — | — | |
| SCHEMBL1223073 | 0.65 | ALDH1A1 (0.39) | — |
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-104173216-A | Whitening hand-washing liquid | JIANGSU TIANHENG NANO SCIENCE AND TECHNOLOGY CO LTD | 2014-12-03 | — | — | CN | disclosed |