⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28913780 | 0.82 | — | — | |
| SCHEMBL6889507 | 0.78 | MCL1 (0.40) | — | |
| SCHEMBL1170737 | 0.76 | — | — | |
| SCHEMBL6748118 | 0.74 | LMNA (0.41) | — | |
| SCHEMBL22283915 | 0.74 | MAPT (0.42) | — | |
| SCHEMBL11447784 | 0.74 | — | — | |
| SCHEMBL1421343 | 0.73 | — | — | |
| SCHEMBL22321687 | 0.73 | MCL1 (0.37) | — | |
| SCHEMBL28416408 | 0.73 | — | — | |
| SCHEMBL10396862 | 0.73 | MCL1 (0.37) | — |
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-106977474-A | One kind substitution benzofurane acrylamide derivative of 2 cyano group 3 and its production and use | 四川大学 | 2017-07-25 | — | — | CN | claimed |
| CN-106977474-A | One kind substitution benzofurane acrylamide derivative of 2 cyano group 3 and its production and use | 四川大学 | 2017-07-25 | — | — | CN | disclosed |