⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11188179 | 0.90 | — | — | |
| SCHEMBL28379549 | 0.88 | TRPV1 (0.31) | — | |
| SCHEMBL9118614 | 0.79 | — | — | |
| SCHEMBL52132 | 0.79 | — | — | |
| SCHEMBL794231 | 0.76 | — | — | |
| SCHEMBL5400057 | 0.73 | — | — | |
| SCHEMBL726672 | 0.73 | — | — | |
| SCHEMBL25276770 | 0.71 | — | — | |
| SCHEMBL6122041 | 0.71 | — | — | |
| SCHEMBL6444433 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0044363-B1 | METHOD FOR PREPARING AMINOALKYL ESTERS OF AMINOACIDS | TORAY INDUSTRIES, INC. (JP) | 1984-05-23 | — | — | EP | claimed |