⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13625949 | 0.90 | METAP2 (0.34) | — | |
| SCHEMBL10597056 | 0.78 | HDAC8 (0.50) | — | |
| SCHEMBL67142 | 0.78 | — | — | |
| SCHEMBL18923191 | 0.70 | NOS1 (0.35) | — | |
| SCHEMBL48310 | 0.69 | — | — | |
| SCHEMBL66792 | 0.67 | METAP2 (0.42) | — | |
| SCHEMBL75931 | 0.67 | METAP2 (0.42) | — | |
| SCHEMBL2069523 | 0.67 | METAP2 (0.42) | — | |
| SCHEMBL9576929 | 0.67 | HDAC8 (0.41) | — | |
| SCHEMBL6522404 | 0.67 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005010028-A1 | ALPHA-AMINO ACID BENZOTHIAZOLYLTHIO ESTER AS INTERMEDIATES FOR MANUFACTURE OF ACE INHIBITORS AND PROCESS FOR PREPARATION THEREOF | LUPIN LIMITED (IN) | 2005-02-03 | — | — | WO | claimed |
| CN-115286661-A | Boron-containing bis-hexatomic spiro derivative and application thereof | 棓诺(苏州)新材料有限公司 | 2022-11-04 | — | — | CN | disclosed |
| US-11072635-B2 | Macrocyclic broad spectrum antibiotics | RQX PHARMACEUTICALS, INC. (US) | 2021-07-27 | — | — | US | disclosed |
| US-20200239519-A1 | MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS | RQX PHARMACEUTICALS, INC. | 2020-07-30 | — | — | US | disclosed |
| US-10550089-B2 | Inhibitors of protease-activated receptor-2 | HEPTARES THERAPEUTICS LIMITED (GB) | 2020-02-04 | — | — | US | disclosed |
| US-20190144394-A1 | INHIBITORS OF PROTEASE-ACTIVATED RECEPTOR-2 | HEPTARES THERAPEUTICS LIMITED (GB) | 2019-05-16 | — | — | US | disclosed |
| US-10221170-B2 | Difluoropyrrolidines as orexin receptor modulators | EOLAS THERAPEUTICS, INC. (US) | 2019-03-05 | — | — | US | disclosed |
| US-20180099954-A1 | NOVEL KAPPA OPIOID LIGANDS | SCRIPPS RESEARCH INST (US) | 2018-04-12 | — | — | US | disclosed |
| US-20170226103-A1 | DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS | NIUVERA BIO, INC. | 2017-08-10 | — | — | US | disclosed |
| US-9682966-B2 | Kappa opioid ligands | THE SCRIPPS RESEARCH INSTITUTE (US) | 2017-06-20 | — | — | US | disclosed |
| US-20170050941-A1 | NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-02-23 | — | — | US | disclosed |
| US-7956206-B2 | Metal complex | CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) | 2011-06-07 | — | — | US | disclosed |
| US-20080088224-A1 | Metal Complex | CDT OXFORD LIMITED (GB) | 2008-04-17 | — | — | US | disclosed |
| WO-2005010028-A1 | ALPHA-AMINO ACID BENZOTHIAZOLYLTHIO ESTER AS INTERMEDIATES FOR MANUFACTURE OF ACE INHIBITORS AND PROCESS FOR PREPARATION THEREOF | LUPIN LIMITED (IN) | 2005-02-03 | — | — | WO | disclosed |
| US-6563005-B1 | Reacting aryl compound with phosphine in presence of Group VIII metal catalyst | CYTEC TECHNOLOGY CORP. | 2003-05-13 | — | — | US | disclosed |