⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22484 | 0.96 | — | — | |
| SCHEMBL3841146 | 0.96 | TDP1 (0.47) | — | |
| SCHEMBL15841316 | 0.92 | — | — | |
| SCHEMBL3629141 | 0.88 | TDP1 (0.41) | — | |
| SCHEMBL4533755 | 0.82 | TDP1 (0.73) | — | |
| Acrylonitrile SCHEMBL10762697 | 0.79 | — | — | |
| Acetic Acid SCHEMBL28855886 | 0.77 | — | — | |
| Vinyl Ether SCHEMBL5702295 | 0.75 | TDP1 (0.32) | — | |
| SCHEMBL3388323 | 0.75 | ALDH1A1 (0.40) | — | |
| 1,1-Dichloroethene SCHEMBL28327906 | 0.71 | — | — |
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-101359175-A | Photoresist compistion | SUMITOMO CHEMICAL CO (JP) | 2009-02-04 | — | — | CN | disclosed |