⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8393191 | 0.93 | CES2 (0.33) | — | |
| SCHEMBL626852 | 0.91 | — | — | |
| SCHEMBL27498248 | 0.90 | CES2 (0.34) | — | |
| SCHEMBL10535672 | 0.90 | TSHR (0.33) | — | |
| SCHEMBL5004360 | 0.87 | LMNA (0.30) | — | |
| SCHEMBL1645555 | 0.87 | — | — | |
| SCHEMBL27496274 | 0.85 | — | — | |
| SCHEMBL25243973 | 0.84 | — | — | |
| SCHEMBL1116134 | 0.84 | TSHR (0.41) | — | |
| SCHEMBL16286664 | 0.84 | TSHR (0.40) | — |
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-0594562-A1 | DERIVATIVES OF N,N-BIS(2,2-DIMETHYL-2-CARBOXYLETHYL)AMINE, MANUFACTURING PROCEDURE AND USE OF SAME | NESTE OY (FI) | 1994-05-04 | — | — | EP | disclosed |
| WO-1990008129-A1 | DERIVATIVES OF N,N-BIS(2,2-DIMETHYL-2-CARBOXYLETHYL)AMINE, MANUFACTURING PROCEDURE AND USE OF SAME | NESTE OY (FI) | 1990-07-26 | — | — | WO | disclosed |