⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL138723 | 0.85 | HTT (0.34) | — | |
| SCHEMBL140455 | 0.79 | ALDH1A1 (0.41) | — | |
| SCHEMBL20446047 | 0.79 | MAPK1 (0.31) | — | |
| SCHEMBL719638 | 0.79 | THRB (0.38) | — | |
| SCHEMBL435016 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL8113920 | 0.74 | CA1 (0.45) | — | |
| SCHEMBL3683189 | 0.73 | NAAA (0.38) | — | |
| SCHEMBL3678777 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL654149 | 0.73 | — | — | |
| SCHEMBL14301460 | 0.73 | — | — |
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-7157537-B2 | α-Halogenated acid esters with polyvalent alcohols as atom transfer radical polymerization initiators | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2007-01-02 | — | — | US | disclosed |
| US-20040260051-A1 | Alpha-halogenated acid esters with polyvalent alcohols as atom transfer radical polymerization initiators | CIBA SPECIALTY CHEMICALS CORP. | 2004-12-23 | — | — | US | disclosed |
| EP-1144355-B1 | ALPHA-HALOGENATED ACID ESTERS WITH POLYVALENT ALCOHOLS AS ATOM TRANSFER RADICAL POLYMERIZATION INITIATORS | CIBA SC HOLDING AG (CH) | 2004-12-08 | — | — | EP | disclosed |