⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8386798 | 0.83 | — | — | |
| SCHEMBL8386801 | 0.83 | — | — | |
| SCHEMBL10416346 | 0.81 | CA1 (0.30) | — | |
| SCHEMBL9865990 | 0.79 | THRB (0.38) | — | |
| SCHEMBL28294021 | 0.78 | — | — | |
| SCHEMBL27947965 | 0.78 | — | — | |
| SCHEMBL172058 | 0.75 | — | — | |
| SCHEMBL6714417 | 0.75 | — | — | |
| SCHEMBL6714410 | 0.75 | — | — | |
| SCHEMBL17613420 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101525298-B | Circulation clean production method of N-propoxyl ethyl-2, 6-diethylaniline | NANTONG WEILIKE CHEMICAL CO LTD | 2012-03-14 | — | — | CN | disclosed |
| CN-101525298-A | Circulation clean production method of N-propoxyl ethyl-2, 6-diethylaniline | NANTONG WEILIKE CHEMICAL CO LT | 2009-09-09 | — | — | CN | disclosed |