⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25534 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL9694359 | 0.62 | — | — | |
| Hydrazine SCHEMBL20424895 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL11697263 | 0.62 | — | — | |
| SCHEMBL19409152 | 0.62 | — | — | |
| SCHEMBL1101296 | 0.61 | — | — | |
| SCHEMBL2017821 | 0.55 | — | — | |
| SCHEMBL809291 | 0.55 | — | — | |
| SCHEMBL278658 | 0.55 | — | — | |
| SCHEMBL2017820 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1228047-A1 | SODIUM 2-(4,6-DIMETHYL-PYRIMIDIN-2-YLOXY)-3-(2-(3,4-DIMETHOXYPHENYL)ETHOXY)-3,3-DIPHENYLPROPIONATE AND USE THEREOF AS ENDOTHELIN ANTAGONIST | BASF AKTIENGESELLSCHAFT (DE) | 2002-08-07 | — | — | EP | disclosed |
| WO-2001030767-A1 | SODIUM 2-(4,6-DIMETHYL-PYRIMIDIN-2-YLOXY)-3-(2-(3,4-DIMETHOXYPHENYL)ETHOXY)-3,3-DIPHENYLPROPIONATE AND USE THEREOF AS ENDOTHELIN ANTAGONIST | BASF AKTIENGESELLSCHAFT (DE) | 2001-05-03 | — | — | WO | disclosed |
| CN-1236362-A | Azinyloxy- and phenoxy-diaryl-carboxylic derivatives, their preparation and use as mixed ET/ET encothelin receptor | BASF AG (DE) | 1999-11-24 | — | — | CN | disclosed |
| EP-0749419-A1 | OXIME DERIVATIVES AND THEIR USE AS PESTICIDES | BAYER AG (DE) | 1996-12-27 | — | — | EP | disclosed |
| WO-1995024383-A1 | OXIME DERIVATIVES AND THEIR USE AS PESTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1995-09-14 | — | — | WO | disclosed |