⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11332822 | 0.78 | — | — | |
| SCHEMBL11592801 | 0.75 | — | — | |
| SCHEMBL29102916 | 0.75 | — | — | |
| SCHEMBL6430086 | 0.75 | — | — | |
| SCHEMBL26767654 | 0.73 | MLYCD (0.32) | — | |
| SCHEMBL282872 | 0.73 | — | — | |
| SCHEMBL23034870 | 0.73 | — | — | |
| SCHEMBL132478 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL3026917 | 0.71 | — | — | |
| SCHEMBL11454548 | 0.71 | ALDH1A1 (0.45) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180169070-A1 | DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC. | 2018-06-21 | — | — | US | disclosed |
| EP-0062840-B1 | PROCESS FOR THE PREPARATION OF (2S)-TETRAHYDRO-2ALPHA-METHYL-6-OXO-4BETA-AMINO-2H-PYRAN-3ALPHA-CARBOXYLIC ACID ESTERS | MERCK & CO. INC. (US) | 1987-12-16 | — | — | EP | disclosed |
| US-4499278-A | THIENAMYCINS | MERCK & CO., INC. (US) | 1985-02-12 | — | — | US | disclosed |
| US-4473502-A | Synthesis of thienamycin via (3SR, 4RS)-3-[1 (SR)-hydroxyethyl]-2-oxo-4-azetidineacetic acid | MERCK & CO., INC. (US) | 1984-09-25 | — | — | US | disclosed |
| US-4467107-A | INTERMEDIATES FOR THIENAMYCIN | MERCK & CO., INC. (US) | 1984-08-21 | — | — | US | disclosed |
| EP-0032400-B1 | (3SR, 4RS)-3-((RS)-1-HYDROXYETHYL)- AND -((RS)-1-ACYLOXYETHYL)-2-OXO-4-AZETIDINEACETIC ACID COMPOUNDS AND A PROCESS FOR PREPARING THE SAME | MERCK & CO. INC. (US) | 1984-06-20 | — | — | EP | disclosed |
| US-4454332-A | INTERMEDIATE FOR SYNTHESIS OF THIENAMYCIN | MERCK & CO., INC. (US) | 1984-06-12 | — | — | US | disclosed |
| US-4414155-A | Synthesis of thienamycin via esters of (3SR, 4RS)-3-[(SR)-1-hydroxyethyl]-β,2-dioxo-4-azetidinebutanoic acid | MERCK & CO., INC. (US) | 1983-11-08 | — | — | US | disclosed |
| US-4360684-A | Process for the preparation of (2S)-tetrahydro-2α-methyl-6-oxo-4βα-carboxylic acid | MERCK & CO., INC. (US) | 1982-11-23 | — | — | US | disclosed |
| EP-0062840-A1 | Process for the preparation of (2S)-tetrahydro-2alpha-methyl-6-oxo-4beta-amino-2H-pyran-3alpha-carboxylic acid esters | MERCK & CO. INC. (US) | 1982-10-20 | — | — | EP | disclosed |
| US-4349687-A | Intermediate for synthesis of thienamycin via (3SR, 4RS)-3-[1 (SR)-hydroxyethyl]-2-oxo-4-azetidineacetic acid | MERCK & CO., INC. (US) | 1982-09-14 | — | — | US | disclosed |
| US-4344885-A | Intermediate for the preparation of thienamycin | MERCK & CO., INC. (US) | 1982-08-17 | — | — | US | disclosed |
| US-4287123-A | Synthesis of thienamycin via (3SR, 4RS)-3-((RS)-1-acyloxyethyl)-2-oxo-4-azetidineacetate | MERCK & CO., INC. (US) | 1981-09-01 | — | — | US | disclosed |
| US-4282148-A | Synthesis of thienamycin via esters of (3SR, 4RS)-3-[(SR)-1-hydroxyethyl]-β,2-dioxo-4-azetidinebutanoic acid | MERCK & CO., INC. (US) | 1981-08-04 | — | — | US | disclosed |
| EP-0032400-A1 | (3SR, 4RS)-3-((RS)-1-hydroxyethyl)- and -((RS)-1-acyloxyethyl)-2-oxo-4-azetidineacetic acid compounds and a process for preparing the same | MERCK & CO. INC. (US) | 1981-07-22 | — | — | EP | disclosed |
| US-4269772-A | PREPARED FROM THE CYCLIZATION OF A CHLORINATED ALDOXIME AND AN UNSATURATED ESTER; STEREOSPECIFIC | MERCK & CO., INC. (US) | 1981-05-26 | — | — | US | disclosed |