⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7786737 | 0.74 | TDP1 (0.38) | — | |
| SCHEMBL7786735 | 0.74 | TDP1 (0.38) | — | |
| SCHEMBL18734185 | 0.72 | — | — | |
| SCHEMBL27300594 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL18389130 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL18235077 | 0.67 | — | — | |
| SCHEMBL19936347 | 0.67 | — | — | |
| SCHEMBL12237866 | 0.67 | — | — | |
| SCHEMBL21698551 | 0.67 | — | — | |
| SCHEMBL20245218 | 0.65 | — | — |
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-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 |