⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2226034 | 1.00 | — | — | |
| SCHEMBL9051574 | 0.82 | — | — | |
| SCHEMBL17514110 | 0.80 | — | — | |
| SCHEMBL932023 | 0.80 | — | — | |
| SCHEMBL932024 | 0.80 | — | — | |
| SCHEMBL8832995 | 0.78 | MAPK1 (0.32) | — | |
| SCHEMBL27880215 | 0.77 | — | — | |
| SCHEMBL17635508 | 0.72 | — | — | |
| SCHEMBL2819835 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL13864133 | 0.70 | TSHR (0.32) | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111763228-A | Synthesis method of (3S) -4-chloro-3- [ (trimethylsilyl) oxy ] butyronitrile | 连云港宏业化工有限公司 | 2020-10-13 | — | — | CN | claimed |
| US-20120323005-A1 | Process For The Preparation Of Amide Intermediates And Their Use Thereof | MSN LABORATORIES PRIVATE LIMITED (IN) | 2012-12-20 | — | — | US | claimed |
| WO-2011086584-A2 | IMPROVED PROCESS FOR THE PREPARATION OF AMIDE INTERMEDIATES AND THEIR USE THEREOF | MSN LABORATORIES LIMITED (IN) | 2011-07-21 | — | — | WO | claimed |
| CN-112679490-A | Chiral side chain of rosuvastatin calcium containing sulfone structure and preparation method and application thereof | 安徽美诺华药物化学有限公司 | 2021-04-20 | — | — | CN | disclosed |
| CN-111763228-A | Synthesis method of (3S) -4-chloro-3- [ (trimethylsilyl) oxy ] butyronitrile | 连云港宏业化工有限公司 | 2020-10-13 | — | — | CN | disclosed |
| CN-111763228-A | Synthesis method of (3S) -4-chloro-3- [ (trimethylsilyl) oxy ] butyronitrile | 连云港宏业化工有限公司 | 2020-10-13 | — | — | CN | disclosed |
| EP-2526099-B1 | IMPROVED PROCESS FOR THE PREPARATION OF AMIDE INTERMEDIATES AND THEIR USE THEREOF | MSN LAB LTD (IN) | 2016-03-30 | — | — | EP | disclosed |
| US-8987444-B2 | Process for the preparation of amide intermediates and their use thereof | MSN LABORATORIES PRIVATE LIMITED (IN) | 2015-03-24 | — | — | US | disclosed |
| US-8987444-B2 | Process for the preparation of amide intermediates and their use thereof | MSN LABORATORIES PRIVATE LIMITED (IN) | 2015-03-24 | — | — | US | disclosed |
| US-8987444-B2 | Process for the preparation of amide intermediates and their use thereof | MSN LABORATORIES PRIVATE LIMITED (IN) | 2015-03-24 | — | — | US | disclosed |
| WO-2014203045-A1 | A NOVEL, GREEN AND COST EFFECTIVE PROCESS FOR SYNTHESIS OF TERT-BUTYL (3R,5S)-6-OXO-3,5-DIHYDROXY-3,5-O-ISOPROPYLIDENE-HEXANOATE | LUPIN LIMITED (IN) | 2014-12-24 | — | — | WO | disclosed |
| US-20120323005-A1 | Process For The Preparation Of Amide Intermediates And Their Use Thereof | MSN LABORATORIES PRIVATE LIMITED (IN) | 2012-12-20 | — | — | US | disclosed |
| US-20120323005-A1 | Process For The Preparation Of Amide Intermediates And Their Use Thereof | MSN LABORATORIES PRIVATE LIMITED (IN) | 2012-12-20 | — | — | US | disclosed |
| WO-2011086584-A2 | IMPROVED PROCESS FOR THE PREPARATION OF AMIDE INTERMEDIATES AND THEIR USE THEREOF | MSN LABORATORIES LIMITED (IN) | 2011-07-21 | — | — | WO | disclosed |
| EP-1583730-B1 | NOVEL PROCESS FOR PREPARING A 5-HYDROXY-3-OXO-HEXANOIC ACID DERIVATIVE | LG LIFE SCIENCES LTD (KR) | 2009-08-05 | — | — | EP | disclosed |
| EP-1583730-A4 | NOVEL PROCESS FOR PREPARING A 5-HYDROXY-3-OXO-HEXANOIC ACID DERIVATIVE | LG LIFE SCIENCES LTD (KR) | 2006-08-09 | — | — | EP | disclosed |
| US-7081546-B2 | Blaise reaction of optionally OH-protected S)-4-halo-3-hydroxybutyronitrile with haloacetate in the presence of zinc metal activated by an organic acid to prepare a 5-hydroxy-3-oxo-hexanoic aicid derivative or its tautomer and hydrolyzing to remove protecting group (e.g., trisubstituted silyl) | LG LIFE SCIENCES LTD. (KR) | 2006-07-25 | — | — | US | disclosed |
| US-20060079710-A1 | Novel process for preparing a 5-hydroxy-3-oxo-hexanoic acid derivative | LG LIFE SCIENCES LTD. (KR) | 2006-04-13 | — | — | US | disclosed |
| EP-1583730-A1 | NOVEL PROCESS FOR PREPARING A 5-HYDROXY-3-OXO-HEXANOIC ACID DERIVATIVE | LG Life Sciences Ltd. (KR) | 2005-10-12 | — | — | EP | disclosed |
| WO-2004063132-A1 | NOVEL PROCESS FOR PREPARING A 5-HYDROXY-3-OXO-HEXANOIC ACID DERIVATIVE | LG LIFE SCIENCES LTD. (KR) | 2004-07-29 | — | — | WO | disclosed |