⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27589606 | 0.86 | — | — | |
| SCHEMBL819873 | 0.80 | OPRM1 (0.32) | — | |
| SCHEMBL28860909 | 0.76 | — | — | |
| SCHEMBL28864080 | 0.73 | — | — | |
| SCHEMBL28247091 | 0.72 | — | — | |
| SCHEMBL27474516 | 0.71 | — | — | |
| SCHEMBL27473232 | 0.70 | — | — | |
| SCHEMBL820459 | 0.69 | OPRM1 (0.39) | — | |
| SCHEMBL3633854 | 0.67 | DNM1 (0.30) | — | |
| SCHEMBL5918090 | 0.66 | — | — |
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-105229094-B | Include the inorganic composite coating of functionalized acrylic compounds | 汉高股份有限及两合公司 | 2018-06-22 | — | — | CN | disclosed |