⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1847352 | 1.00 | — | — | |
| SCHEMBL1981986 | 0.93 | MEN1 (0.38) | — | |
| SCHEMBL11898034 | 0.93 | MEN1 (0.38) | — | |
| SCHEMBL2338824 | 0.93 | MEN1 (0.38) | — | |
| SCHEMBL2557251 | 0.91 | MEN1 (0.38) | — | |
| Proline SCHEMBL5501714 | 0.88 | MEN1 (0.40) | — | |
| SCHEMBL27508951 | 0.83 | MEN1 (0.40) | — | |
| SCHEMBL27731852 | 0.83 | KMT2A (0.40) | — | |
| SCHEMBL18835349 | 0.83 | MEN1 (0.38) | — | |
| SCHEMBL1062003 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2456781-B1 | 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ACYLOXYALKYLENE PHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES | BAYER IP GMBH (DE) | 2017-06-21 | — | — | EP | claimed |
| EP-2958910-B1 | PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS | DOMAINEX LTD (GB) | 2016-08-03 | — | — | EP | claimed |
| EP-2456781-A2 | 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ACYLOXYALKYLENE PHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES | Bayer Pharma Aktiengesellschaft (DE) | 2012-05-30 | — | — | EP | claimed |
| WO-2011009530-A2 | 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ACYLOXYALKYLENE PHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-01-27 | — | — | WO | claimed |
| EP-2456781-B1 | 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ACYLOXYALKYLENE PHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES | BAYER IP GMBH (DE) | 2017-06-21 | — | — | EP | disclosed |
| EP-2456781-A2 | 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ACYLOXYALKYLENE PHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES | Bayer Pharma Aktiengesellschaft (DE) | 2012-05-30 | — | — | EP | disclosed |
| WO-2011009530-A2 | 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ACYLOXYALKYLENE PHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-01-27 | — | — | WO | disclosed |