⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2045873 | 0.71 | — | — | |
| SCHEMBL16569694 | 0.67 | — | — | |
| SCHEMBL1563874 | 0.67 | — | — | |
| SCHEMBL1070705 | 0.62 | — | — | |
| SCHEMBL2042519 | 0.59 | — | — | |
| SCHEMBL385186 | 0.59 | — | — | |
| SCHEMBL193236 | 0.57 | — | — | |
| SCHEMBL5496495 | 0.56 | — | — | |
| SCHEMBL5785673 | 0.55 | — | — | |
| SCHEMBL14476043 | 0.55 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017060326-A1 | PROCESS FOR THE PREPARATION OF (E)-3-(4-((E)-2-(2-CHLORO-4-FLUOROPHENYL)-1-(1H-INDAZOL-5-YL)BUT-1-EN-1-YL)PHENYL)ACRYLIC ACID | F. HOFFMANN-LA ROCHE AG (CH) | 2017-04-13 | — | — | WO | disclosed |
| WO-2016196337-A1 | TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2016-12-08 | — | — | WO | disclosed |
| EP-2616445-A2 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | Aragon Pharmaceuticals, Inc. (US) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012037411-A9 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | ARAGON PHARMACEUTICALS, INC. (US) | 2012-05-18 | — | — | WO | disclosed |
| WO-2012037410-A9 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | ARAGON PHARMACEUTICALS, INC. (US) | 2012-05-10 | — | — | WO | disclosed |
| WO-2012037411-A2 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | ARAGON PHARMACEUTICALS, INC. (US) | 2012-03-22 | — | — | WO | disclosed |
| WO-2012037410-A2 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | ARAGON PHARMACEUTICALS, INC. (US) | 2012-03-22 | — | — | WO | disclosed |