⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19892108 | 0.74 | — | — | |
| SCHEMBL22810568 | 0.74 | — | — | |
| SCHEMBL12987000 | 0.71 | — | — | |
| SCHEMBL12879727 | 0.71 | — | — | |
| SCHEMBL15835843 | 0.70 | — | — | |
| SCHEMBL6471767 | 0.70 | — | — | |
| SCHEMBL6471770 | 0.70 | — | — | |
| SCHEMBL19992902 | 0.67 | — | — | |
| SCHEMBL22562910 | 0.67 | — | — | |
| SCHEMBL12879982 | 0.67 | — | — |
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-2470512-B1 | AROMATASE INHIBITOR | ESTRYX PHARMA LTD (GB) | 2018-05-02 | — | — | EP | disclosed |