⚠ 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL27396670 | 0.95 | — | — | |
| SCHEMBL29282848 | 0.95 | — | — | |
| Acetone SCHEMBL28122724 | 0.90 | — | — | |
| Acetone SCHEMBL28098072 | 0.90 | — | — | |
| Acetone SCHEMBL28087023 | 0.90 | — | — | |
| Acetone SCHEMBL28160402 | 0.90 | — | — | |
| Acetone SCHEMBL28156343 | 0.90 | LMNA (0.60) | — | |
| Acetone SCHEMBL28109761 | 0.90 | — | — | |
| Acetone SCHEMBL28158801 | 0.90 | — | — | |
| SCHEMBL88446 | 0.89 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110234645-A | The method for preparing Bian type amide | 巴斯夫欧洲公司 | 2019-09-13 | — | — | CN | disclosed |
| CN-101715439-B | Process for preparing biaryl compounds | BAYER CROPSCIENCE AG | 2013-06-05 | — | — | CN | disclosed |
| CN-101715439-A | Process for preparing biaryl compounds | BAYER CROPSCIENCE AG | 2010-05-26 | — | — | CN | disclosed |