⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25653848 | 1.00 | — | — | |
| SCHEMBL11776301 | 0.90 | ALDH1A1 (0.44) | — | |
| SCHEMBL11776296 | 0.90 | ALDH1A1 (0.44) | — | |
| SCHEMBL18474773 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL24629317 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL20273049 | 0.71 | — | — | |
| SCHEMBL15629933 | 0.71 | — | — | |
| SCHEMBL23074741 | 0.71 | — | — | |
| SCHEMBL17124180 | 0.71 | — | — | |
| SCHEMBL211089 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2906553-B1 | OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2019-06-26 | — | — | EP | disclosed |
| EP-2270076-B1 | RESIN MOLDED PRODUCT AND POLYMER FILM | FUJIFILM CORP (JP) | 2018-05-23 | — | — | EP | disclosed |