⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1914791 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL1914792 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL12551867 | 0.72 | — | — | |
| SCHEMBL13961762 | 0.72 | — | — | |
| SCHEMBL14266496 | 0.72 | — | — | |
| SCHEMBL13062900 | 0.72 | — | — | |
| SCHEMBL8279762 | 0.72 | — | — | |
| SCHEMBL12587632 | 0.69 | — | — | |
| SCHEMBL12586335 | 0.69 | — | — | |
| SCHEMBL7074039 | 0.69 | — | — |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6512130-B1 | The present invention relates to the analogue, 11 beta -(4-(N,N- dimethylamino) phenyl)-17 beta -hydroxy-17 alpha -(3-methyl-1- butynyl)-estra-4,9-dien-3-one, of the structural formula 1 | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2003-01-28 | — | — | US | claimed |
| CN-111689993-B | Novel method for preparing chiral alpha-amino boric acid ester as key intermediate of boron-containing zomib drug | 凯特立斯（深圳）科技有限公司 | 2023-04-14 | — | — | CN | disclosed |
| CN-111689993-A | Novel preparation method of chiral alpha-amino boric acid ester as key intermediate of boron-containing zomib drug | 凯特立斯（深圳）科技有限公司 | 2020-09-22 | — | — | CN | disclosed |
| US-9949949-B2 | Macrocyclic ghrelin receptor modulators and methods of using the same | OCERA THERAPEUTICS, INC. (US) | 2018-04-24 | — | — | US | disclosed |
| US-9920048-B2 | Substituted pyrimidines for inhibiting Raf kinase activity | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2018-03-20 | — | — | US | disclosed |
| US-20170158686-A1 | Compounds Useful as Raf Kinase Inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-06-08 | — | — | US | disclosed |
| US-20170042858-A1 | MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME | MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY | 2017-02-16 | — | — | US | disclosed |
| US-9556177-B2 | Substituted 1,3-thiazoles as synthetic intermediates for preparation of Raf kinase inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-01-31 | — | — | US | disclosed |
| US-20150080568-A1 | COMPOUNDS USEFUL AS RAF KINASE INHIBITORS | XOMA (US) LLC | 2015-03-19 | — | — | US | disclosed |
| US-8802657-B2 | Compounds useful as Raf kinase inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-08-12 | — | — | US | disclosed |
| EP-1067930-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | Merck & Co., Inc. (US) | 2001-01-17 | — | — | EP | disclosed |
| WO-1999051232-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | MERCK & CO., INC. (US) | 1999-10-14 | — | — | WO | disclosed |
| WO-1999051233-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | MERCK & CO., INC. (US) | 1999-10-14 | — | — | WO | disclosed |
| US-5128464-A | 6,6-ethylenedioxy-22R-hydroxy-2R,3S-isopropylidendioxy-5α-cholst-23-yne | FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) | 1992-07-07 | — | — | US | disclosed |
| EP-0201042-B1 | 3ALPHA,5-CYCLO-22,23-DIHYDROXY-5ALPHA,STEROID COMPOUNDS | FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) | 1991-08-28 | — | — | EP | disclosed |
| US-4861875-A | 3α,5-cyclo-22,23-dihydroxy-5α-steroid compounds | FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) | 1989-08-29 | — | — | US | disclosed |
| EP-0201042-A2 | 3alpha,5-Cyclo-22,23-dihydroxy-5alpha,steroid compounds | FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) | 1986-11-12 | — | — | EP | disclosed |
| EP-0016505-B1 | PROCESS FOR THE PREPARATION OF DIHALOVINYL COMPOUNDS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-03-23 | — | — | EP | disclosed |
| US-4307243-A | Process of preparing dihalovinyl compounds | SHELL OIL COMPANY (US) | 1981-12-22 | — | — | US | disclosed |
| EP-0016505-A1 | Process for the preparation of dihalovinyl compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1980-10-01 | — | — | EP | disclosed |