⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9114309 | 0.79 | — | — | |
| SCHEMBL28407842 | 0.77 | FDPS (0.46) | — | |
| SCHEMBL28116156 | 0.77 | FDPS (0.46) | — | |
| SCHEMBL30570453 | 0.77 | FDPS (0.46) | — | |
| SCHEMBL9851953 | 0.76 | — | — | |
| SCHEMBL9180025 | 0.76 | — | — | |
| SCHEMBL28272852 | 0.75 | — | — | |
| SCHEMBL28499648 | 0.75 | THRB (0.42) | — | |
| SCHEMBL950469 | 0.74 | — | — | |
| SCHEMBL16970302 | 0.73 | FDPS (0.38) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102757325-A | 2-chloro-2-aryl acetaldehyde compound and preparation method thereof | UNIV ZHEJIANG | 2012-10-31 | — | — | CN | claimed |
| CN-108699176-B | Method for producing polymer and compound containing radical polymerization initiating group | 大日精化工业株式会社 | 2021-11-30 | — | — | CN | disclosed |
| CN-102757416-B | Method for synthesizing 3-arylcoumarin by using N-heterocyclic carbene as catalyst | UNIV ZHEJIANG | 2014-07-09 | — | — | CN | disclosed |
| CN-102757416-A | Method for synthesizing 3-arylcoumarin by using N-heterocyclic carbene as catalyst | UNIV ZHEJIANG | 2012-10-31 | — | — | CN | disclosed |
| CN-102757325-A | 2-chloro-2-aryl acetaldehyde compound and preparation method thereof | UNIV ZHEJIANG | 2012-10-31 | — | — | CN | disclosed |
| US-4190561-A | PERFUMES FOR USE IN PERFUMED PRODUCTS SUCH AS SHAMPOOS AND DETERGENTS | SOCIETE ANONYME ROURE BERTRAND DUPONT (FR) | 1980-02-26 | — | — | US | disclosed |