⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10690744 | 0.78 | — | — | |
| SCHEMBL252652 | 0.77 | ALDH1A1 (0.46) | — | |
| SCHEMBL706899 | 0.74 | — | — | |
| SCHEMBL6569289 | 0.73 | — | — | |
| SCHEMBL10693612 | 0.73 | — | — | |
| SCHEMBL2356526 | 0.72 | — | — | |
| SCHEMBL10694900 | 0.72 | — | — | |
| SCHEMBL252651 | 0.70 | — | — | |
| SCHEMBL1408575 | 0.67 | — | — | |
| SCHEMBL15662831 | 0.67 | FAAH (0.34) | — |
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-107429079-B | Curable resin composition surface treatment pearl filler and the curable resin composition containing the filler | 丸尾钙株式会社 | 2019-08-23 | — | — | CN | disclosed |