⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2542453 | 0.62 | — | — | |
| SCHEMBL788024 | 0.61 | — | — | |
| SCHEMBL2106124 | 0.57 | KCNH2 (0.39) | — | |
| SCHEMBL20544495 | 0.56 | — | — | |
| SCHEMBL17845606 | 0.56 | — | — | |
| SCHEMBL15901159 | 0.54 | — | — | |
| SCHEMBL9216715 | 0.54 | — | — | |
| SCHEMBL9733000 | 0.53 | — | — | |
| SCHEMBL15900980 | 0.52 | — | — | |
| SCHEMBL27536090 | 0.52 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3233828-A1 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | F. Hoffmann-La Roche AG (CH) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016196337-A1 | TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2016-12-08 | — | — | WO | disclosed |
| WO-2016097071-A1 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2016-06-23 | — | — | WO | disclosed |