⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL57345 | 0.82 | THRB (0.50) | — | |
| SCHEMBL35720 | 0.82 | — | — | |
| SCHEMBL5297552 | 0.81 | ALDH1A1 (0.37) | — | |
| SCHEMBL1093533 | 0.80 | — | — | |
| Methyl Alcohol SCHEMBL29084611 | 0.80 | ALDH1A1 (0.50) | — | |
| SCHEMBL27491399 | 0.80 | — | — | |
| SCHEMBL1923846 | 0.78 | ALDH1A1 (0.37) | — | |
| SCHEMBL3478021 | 0.78 | TSHR (0.45) | — | |
| SCHEMBL21633996 | 0.78 | — | — | |
| SCHEMBL3357134 | 0.78 | — | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107325101-B | The synthetic method of 6- methylol -6,7- dihydro -5H, 9H- imidazo diazepine -8- carboxylic acid tert-butyl ester | 上海合全药物研发有限公司 | 2019-03-26 | — | — | CN | claimed |
| CN-107325101-A | The synthetic method of the carboxylic acid tert-butyl ester of 6 methylol, 6,7 dihydro 5H, 9H imidazo diazepine 8 | 上海合全药物研发有限公司 | 2017-11-07 | — | — | CN | claimed |
| US-6750223-B2 | TO INHIBIT THE GROWTH OF A VARIETY OF TUMOR/CANCER CELLS, ESPECIALLY LEUKEMIA, COLON, MELANOMA, AND BREAST CANCER CELLS | KAOHSIUNG MEDICAL UNIVERSITY (TW) | 2004-06-15 | — | — | US | claimed |
| US-20040072856-A1 | 4-ANILINO[2,3-b]QUINOLINE DERIVATIVES,THEIR PREPARATION PROCECC ANDPHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | KAOHSIUNG MEDICAL UNIVERSITY (TW) | 2004-04-15 | — | — | US | claimed |
| US-20220402855-A1 | PROCESS FOR PREPARING AN ALPHA-SUBSTITUTED ACRYLATE | DOW GLOBAL TECHNOLOGIES LLC (US) | 2022-12-22 | — | — | US | disclosed |
| US-20220402856-A1 | PROCESS FOR PREPARING AN ALPHA-SUBSTITUTED ACRYLATE | DOW GLOBAL TECHNOLOGIES LLC (US) | 2022-12-22 | — | — | US | disclosed |
| WO-2021138073-A1 | PROCESS FOR PREPARING AN ALPHA-SUBSTITUTED ACRYLATE | DOW GLOBAL TECHNOLOGIES LLC (US) | 2021-07-08 | — | — | WO | disclosed |
| WO-2021138075-A1 | PROCESS FOR PREPARING AN ALPHA-SUBSTITUTED ACRYLATE | DOW GLOBAL TECHNOLOGIES LLC (US) | 2021-07-08 | — | — | WO | disclosed |
| CN-107108540-B | Butyrolactone compound and manufacturing method | 日产化学工业株式会社 | 2019-08-02 | — | — | CN | disclosed |
| CN-107108463-B | The processing method of tin compound in reaction mixture | 日产化学工业株式会社 | 2019-05-17 | — | — | CN | disclosed |
| CN-107108463-A | The processing method of tin compound in reactant mixture | 日产化学工业株式会社 | 2017-08-29 | — | — | CN | disclosed |
| CN-107108540-A | Butyrolactone compound and manufacture method | 日产化学工业株式会社 | 2017-08-29 | — | — | CN | disclosed |
| EP-1617806-A4 | SELECTIVE SPIROCYCLIC GLUCOCORTICOID RECEPTOR MODULATORS | MERCK & CO INC (US) | 2006-11-02 | — | — | EP | disclosed |
| EP-1617806-A2 | SELECTIVE SPIROCYCLIC GLUCOCORTICOID RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2006-01-25 | — | — | EP | disclosed |
| WO-2004093805-A2 | SELECTIVE SPIROCYCLIC GLUCOCORTICOID RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2004-11-04 | — | — | WO | disclosed |
| US-6630501-B1 | Treatment of cancer due to overexpression of enzymes of this family | COMMISSARIAT A L'ENERGIE ATOMIQUE | 2003-10-07 | — | — | US | disclosed |
| US-6576684-B1 | Ammonium, phosphonium or sulfonium containing oligomers or polymers; controlled molecular weight, low polydispersity and a vinyl or dienyl end group; polymeric precursors and addi-tives | CIBA SPECIALTY CHEMICALS CORPORATION | 2003-06-10 | — | — | US | disclosed |
| EP-1112288-A1 | THERMAL- AND PHOTOINITIATED RADICAL POLYMERIZATION IN THE PRESENCE OF AN ADDITION FRAGMENTATION AGENT | Ciba SC Holding AG (CH) | 2001-07-04 | — | — | EP | disclosed |
| WO-2000011041-A1 | THERMAL- AND PHOTOINITIATED RADICAL POLYMERIZATION IN THE PRESENCE OF AN ADDITION FRAGMENTATION AGENT | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2000-03-02 | — | — | WO | disclosed |
| US-5336686-A | Glucocorticoid, progesterone and androgen antagonists; hormone inhibitors; antiproliferative activity; antitumor and carcinogenic agents | ROUSSEL-UCLAF (FR) | 1994-08-09 | — | — | US | disclosed |