⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21132160 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL791197 | 0.67 | — | — | |
| SCHEMBL21252624 | 0.62 | — | — | |
| SCHEMBL20050249 | 0.62 | — | — | |
| SCHEMBL13929572 | 0.62 | ALDH1A1 (0.41) | — | |
| SCHEMBL14327880 | 0.62 | CXCR2 (0.41) | — | |
| SCHEMBL22895152 | 0.61 | CXCR2 (0.39) | — | |
| Dimethylamine SCHEMBL28933326 | 0.59 | GSR (0.32) | — | |
| SCHEMBL21842697 | 0.59 | GAA (0.40) | — | |
| Methyl Alcohol SCHEMBL28845780 | 0.58 | GSR (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9981910-B2 | Substituted pyrrolidines and methods of use | ABBVIE S.Á.R.L. (LU) | 2018-05-29 | — | — | US | disclosed |