⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3267438 | 0.80 | LTA4H (0.30) | — | |
| SCHEMBL826030 | 0.78 | — | — | |
| SCHEMBL1326408 | 0.77 | TP53 (0.41) | — | |
| Water SCHEMBL29272691 | 0.74 | TP53 (0.39) | — | |
| Water SCHEMBL29272692 | 0.74 | TP53 (0.39) | — | |
| SCHEMBL6847362 | 0.72 | — | — | |
| SCHEMBL29033107 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL10495916 | 0.72 | — | — | |
| SCHEMBL827212 | 0.72 | — | — | |
| SCHEMBL10791737 | 0.72 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220048879-A1 | Synthesis of small molecules inspired by Phomoxanthone A | WORCESTER POLYTECHNIC INSTITUTE | 2022-02-17 | — | — | US | disclosed |
| WO-2022036040-A1 | SYNTHESIS OF SMALL MOLECULES INSPIRED BY PHOMOXANTHONE A | WORCESTER POLYTECHNIC INSTITUTE (US) | 2022-02-17 | — | — | WO | disclosed |
| WO-2020118206-A1 | BUTENOLIDE ANTAGONISTS OF THE CGAS/STING PATHWAY | THE SCRIPPS RESEARCH INSTITUTE (US) | 2020-06-11 | — | — | WO | disclosed |
| CN-102875601-B | Phosphine-oxazoline ligand and ionic type metal title complex thereof and its enantiomorph or raceme preparation method and application | SUN YAT-SEN UNIVERSITY (CN) | 2016-03-09 | — | — | CN | disclosed |
| US-20140142001-A1 | ORGANO-CASCADE CATALYSIS: ONE-POT PRODUCTION OF CHEMICAL LIBRARIES | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2014-05-22 | — | — | US | disclosed |
| US-20100197521-A1 | ORGANO-CASCADE CATALYSIS: ONE-POT PRODUCTION OF CHEMICAL LIBRARIES | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2010-08-05 | — | — | US | disclosed |
| EP-2179080-A1 | ORGANO-CASCADE CATALYSIS: ONE-POT PRODUCTION OF CHEMICAL LIBRARIES | Trustees Of Princeton University (US) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009015059-A1 | ORGANO-CASCADE CATALYSIS: ONE-POT PRODUCTION OF CHEMICAL LIBRARIES | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2009-01-29 | — | — | WO | disclosed |
| WO-2006003496-A2 | PREPARATION OF 4-SUBSTITUTED-2-BUTEN-4-OLIDES FROM MUCOHALIC ACIDS | WARNER-LAMBERT COMPANY LLC (US) | 2006-01-12 | — | — | WO | disclosed |
| US-20060004211-A1 | Preparation of 4-substituted-2-buten-4-olides from mucohalic acids | WARNER-LAMBERT COMPANY LLC | 2006-01-05 | — | — | US | disclosed |