⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL138447 | 0.83 | — | — | |
| Bromide SCHEMBL28988959 | 0.79 | — | — | |
| Bromide SCHEMBL29623017 | 0.79 | — | — | |
| Oxirane SCHEMBL15286473 | 0.78 | — | — | |
| Dioxane SCHEMBL20593971 | 0.75 | SMN1; SMN2 (0.41) | — | |
| Dioxane SCHEMBL28559564 | 0.75 | SMN1; SMN2 (0.46) | — | |
| Dioxane SCHEMBL3231271 | 0.73 | SMN1; SMN2 (0.40) | — | |
| Lactic Acid SCHEMBL6566944 | 0.69 | — | — | |
| Lactic Acid SCHEMBL17492264 | 0.69 | TP53 (0.69) | — | |
| Acetone SCHEMBL8812242 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2747753-A1 | ATOM TRANSFER RADICAL POLYMERIZATION UNDER BIOLOGICALLY COMPATIBLE CONDITIONS | Carnegie Mellon University (US) | 2014-07-02 | — | — | EP | disclosed |
| WO-2013028756-A1 | ATOM TRANSFER RADICAL POLYMERIZATION UNDER BIOLOGICALLY COMPATIBLE CONDITIONS | CARNEGIE MELLON UNIVERSITY (US) | 2013-02-28 | — | — | WO | disclosed |