⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL472193 | 0.72 | TSHR (0.44) | — | |
| SCHEMBL11668635 | 0.69 | — | — | |
| SCHEMBL12264110 | 0.67 | — | — | |
| SCHEMBL3499444 | 0.67 | — | — | |
| Bromide SCHEMBL29035845 | 0.66 | TSHR (0.31) | — | |
| SCHEMBL5949962 | 0.60 | — | — | |
| SCHEMBL9461909 | 0.58 | — | — | |
| SCHEMBL3532975 | 0.57 | — | — | |
| SCHEMBL11020010 | 0.57 | CYP3A4 (0.31) | — | |
| SCHEMBL20758296 | 0.55 | TSHR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8710269-B2 | DMAPN having a low DGN content and a process for preparing DMAPA having a low DGN content | BASF SE (DE) | 2014-04-29 | — | — | US | disclosed |
| US-20120029225-A1 | DMAPN Having a Low DGN Content and a Process for Preparing DMAPA from DMAPN Having a Low DGN Content | BASF SE (DE) | 2012-02-02 | — | — | US | disclosed |