⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL385886 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL5426046 | 0.77 | MIF (0.37) | — | |
| SCHEMBL7670194 | 0.74 | — | — | |
| SCHEMBL167149 | 0.74 | — | — | |
| SCHEMBL122716 | 0.74 | — | — | |
| SCHEMBL19860894 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL11058319 | 0.74 | LMNA (0.34) | — | |
| SCHEMBL22980650 | 0.72 | — | — | |
| SCHEMBL3910457 | 0.72 | — | — | |
| SCHEMBL22665925 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200270306-A1 | PEPTIDES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING EYE DISEASES | YUYU PHARMA, INC. (KR) | 2020-08-27 | — | — | US | disclosed |
| CN-104418707-B | A kind of method of asymmetric synthesis of natural products Bakuchiol and its enantiomer | 复旦大学 | 2017-10-10 | — | — | CN | disclosed |
| CN-106163509-A | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents | 夸德里加生物科学公司 | 2016-11-23 | — | — | CN | disclosed |
| CN-103965047-B | The preparation method of 3,3,3-trifluoroacetic acid and ester thereof | XI'AN INST. OF MODERN CHEMISTRY (CN) | 2015-10-28 | — | — | CN | disclosed |
| CN-101043907-A | Use of cell-specific conjugates in the treatment of inflammatory diseases of the gastrointestinal tract | PLIVA ISTRAZIVACKI INST D O O (HR) | 2007-09-26 | — | — | CN | disclosed |
| EP-0166354-B1 | BENZOFUSED LACTAM COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1992-08-05 | — | — | EP | disclosed |
| US-4873235-A | COUPLING KETO ESTER WITH LACTAM; ANGIOTENSIN CONVERTING ENZYME INHIBITORS | MERCK & CO., INC. (US) | 1989-10-10 | — | — | US | disclosed |
| US-4684645-A | GASTROINTESTINAL AND NERVOUS SYSTEM DISORDERS | MERCK & CO., INC. (US) | 1987-08-04 | — | — | US | disclosed |
| EP-0166354-A2 | Benzofused lactam compounds and pharmaceutical compositions containing them | MERCK & CO. INC. (US) | 1986-01-02 | — | — | EP | disclosed |