⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11598013 | 0.77 | MEN1 (0.38) | — | |
| SCHEMBL5067712 | 0.74 | TSHR (0.43) | — | |
| SCHEMBL13656487 | 0.74 | TSHR (0.43) | — | |
| SCHEMBL8869648 | 0.72 | — | — | |
| SCHEMBL21758850 | 0.71 | TSHR (0.40) | — | |
| SCHEMBL5139119 | 0.70 | — | — | |
| SCHEMBL18414897 | 0.70 | TSHR (0.37) | — | |
| SCHEMBL5139839 | 0.69 | TSHR (0.34) | — | |
| SCHEMBL5490908 | 0.68 | TSHR (0.46) | — | |
| SCHEMBL10824767 | 0.67 | RAB9A (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101696183-B | (Z)-2-phenyl-3-(pyrrol-2-yl)-acrylonitrile derivative as well as salts, composition, preparation method and application thereof | HANGZHOU NEW RAYJAY BIOMED CORP | 2012-11-28 | — | — | CN | disclosed |
| CN-101696183-A | (Z)-2-phenyl-3-(pyrrol-2-yl)-acrylonitrile derivative as well as salts, composition, preparation method and application thereof | HANGZHOU NEW RAYJAY BIOMED COR | 2010-04-21 | — | — | CN | disclosed |