⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2328278 | 0.92 | — | — | |
| SCHEMBL2002077 | 0.83 | — | — | |
| SCHEMBL15029267 | 0.79 | TRIM24 (0.53) | — | |
| Ethyl Acetate SCHEMBL8059879 | 0.77 | ALDH1A1 (0.44) | — | |
| Cyanide SCHEMBL28843765 | 0.77 | — | — | |
| SCHEMBL16205924 | 0.76 | TRIM24 (0.56) | — | |
| SCHEMBL16578110 | 0.74 | TRIM24 (0.58) | — | |
| SCHEMBL28867094 | 0.74 | — | — | |
| SCHEMBL16254087 | 0.74 | TRIM24 (0.58) | — | |
| SCHEMBL14441603 | 0.72 | TRIM24 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9770515-B2 | Crosslinking of proteins and other entities via conjugates of α-haloacetophenones, benzyl halides, quinones, and their derivatives | ADVANCED PROTEOME THERAPEUTICS INC. (US) | 2017-09-26 | — | — | US | disclosed |
| US-20130165382-A1 | CROSSLINKING OF PROTEINS AND OTHER ENTITIES VIA CONJUGATES OF ALPHA-HALOACETOPHENONES, BENZYL HALIDES, QUINONES, AND THEIR DERIVATIVES | ADVANCED PROTEOME THERAPEUTICS INC. (US) | 2013-06-27 | — | — | US | disclosed |
| CN-1108659-A | Trifluoroisopropenyl zinc reagent and its derivate application | SHANGHAI INST ORGANIC CHEM (CN) | 1995-09-20 | — | — | CN | disclosed |