⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28060741 | 0.88 | — | — | |
| Acrylamide SCHEMBL3890433 | 0.86 | DNM1 (0.36) | — | |
| SCHEMBL27580570 | 0.81 | TSHR (0.35) | — | |
| Acrylamide SCHEMBL28060734 | 0.80 | — | — | |
| SCHEMBL27627448 | 0.77 | BBOX1 (0.31) | — | |
| SCHEMBL27580441 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL1864397 | 0.73 | DNM1 (0.48) | — | |
| SCHEMBL640964 | 0.73 | TDP1 (0.38) | — | |
| SCHEMBL27590350 | 0.72 | ENPEP (0.35) | — | |
| SCHEMBL27559573 | 0.72 | — | — |
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-102712825-B | Coating agent and coated article | INNOVATIVE SURFACE TECHNOLOGIES, INC. (US) | 2016-03-16 | — | — | CN | disclosed |