⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9439663 | 0.73 | — | — | |
| SCHEMBL29062322 | 0.66 | ALOX15 (0.39) | — | |
| SCHEMBL1275975 | 0.63 | — | — | |
| SCHEMBL1149434 | 0.62 | — | — | |
| SCHEMBL6471512 | 0.62 | — | — | |
| SCHEMBL5697617 | 0.62 | ALDH1A1 (0.30) | — | |
| SCHEMBL5911041 | 0.61 | — | — | |
| SCHEMBL7484712 | 0.60 | ALDH1A1 (0.33) | — | |
| SCHEMBL46525 | 0.60 | — | — | |
| SCHEMBL2497209 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104703980-A | Orexin receptor antagonists which are [ortho bi (hetero )aryl]-[2-(meta bi (hetero )aryl)-pyrrolidin-1-yl]-methanone derivatives | ACTELION PHARMACEUTICALS LTD | 2015-06-10 | — | — | CN | disclosed |