⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27732969 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL2654335 | 0.98 | METAP2 (0.42) | — | |
| Hydrochloric Acid SCHEMBL2654337 | 0.98 | METAP2 (0.42) | — | |
| SCHEMBL11185813 | 0.80 | MGAM (0.48) | — | |
| SCHEMBL804999 | 0.78 | — | — | |
| SCHEMBL805100 | 0.78 | — | — | |
| SCHEMBL13471128 | 0.78 | — | — | |
| SCHEMBL864303 | 0.78 | — | — | |
| SCHEMBL27654640 | 0.77 | CAD (0.55) | — | |
| SCHEMBL28211824 | 0.77 | ALOX15 (0.41) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11708371-B2 | Process for making beta 3 agonists and intermediates | MERCK SHARP & DOHME CORP. (US) | 2023-07-25 | — | — | US | disclosed |
| US-20210221815-A1 | Process for Making Beta 3 Agonists and Intermediates | MERCK SHARP & DOHME CORP. (US) | 2021-07-22 | — | — | US | disclosed |
| US-20200031838-A1 | Process for Making Beta 3 Agonists and Intermediates | MERCK SHARP & DOHME CORP. (US) | 2020-01-30 | — | — | US | disclosed |
| US-10435410-B2 | Process for making beta 3 agonists and intermediates | MERCK SHARP & DOHME CORPORATION (US) | 2019-10-08 | — | — | US | disclosed |
| US-20190016729-A1 | PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES | MERCK SHARP & DOHME CORP. (US) | 2019-01-17 | — | — | US | disclosed |
| US-20180065973-A1 | PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES | MERCK SHARP & DOHME CORP. (US) | 2018-03-08 | — | — | US | disclosed |
| US-9822121-B2 | Process for making beta 3 agonists and intermediates | MERCK SHARP & DOHME CORP. (US) | 2017-11-21 | — | — | US | disclosed |
| EP-2770996-B1 | PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES | MERCK SHARP & DOHME (US) | 2016-09-28 | — | — | EP | disclosed |
| US-20160176884-A1 | Process for Making Beta 3 Agonists and Intermediates | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | US | disclosed |
| US-20150087832-A1 | PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES | MERCK SHARP & DOHME, CORP. (US) | 2015-03-26 | — | — | US | disclosed |
| WO-2013062881-A1 | PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES | MERCK SHARP & DOHME CORP. (US) | 2013-05-02 | — | — | WO | disclosed |