⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2920161 | 0.75 | POLB (0.34) | — | |
| SCHEMBL1697644 | 0.70 | PARP1 (0.36) | — | |
| SCHEMBL10662131 | 0.69 | PARP1 (0.33) | — | |
| SCHEMBL23781284 | 0.67 | PARP1 (0.34) | — | |
| SCHEMBL25680741 | 0.67 | MAOB (0.36) | — | |
| SCHEMBL13816705 | 0.67 | PARP1 (0.34) | — | |
| SCHEMBL5133900 | 0.67 | PARP1 (0.34) | — | |
| SCHEMBL9793274 | 0.67 | CA1 (0.32) | — | |
| SCHEMBL5734197 | 0.67 | CA1 (0.32) | — | |
| SCHEMBL31494288 | 0.67 | MAOB (0.31) | — |
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-109438205-B | Synthesis method of 2-methyl-2, 3-diaryl propionaldehyde derivative | 西北大学 | 2021-11-12 | — | — | CN | claimed |
| CN-109438205-B | Synthesis method of 2-methyl-2, 3-diaryl propionaldehyde derivative | 西北大学 | 2021-11-12 | — | — | CN | disclosed |