⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1577819 | 0.78 | — | — | |
| SCHEMBL14289016 | 0.75 | — | — | |
| SCHEMBL21481183 | 0.72 | — | — | |
| SCHEMBL18866528 | 0.72 | — | — | |
| SCHEMBL17030632 | 0.72 | — | — | |
| SCHEMBL247472 | 0.67 | — | — | |
| SCHEMBL2992150 | 0.67 | — | — | |
| SCHEMBL417661 | 0.67 | — | — | |
| Trimethylammonium SCHEMBL27842322 | 0.67 | — | — | |
| SCHEMBL23962218 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11534427-B2 | Applications of novel thiazole derivative in treating inflammatory bowel diseases | EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2022-12-27 | — | — | US | disclosed |
| WO-2021000248-A1 | METHOD AND APPARATUS FOR CONTINUOUS SYNTHESIS OF CYCLOPROPANE COMPOUNDS | 凯莱英医药集团（天津）股份有限公司 | 2021-01-07 | — | — | WO | disclosed |
| EP-2675783-B1 | ADDITION-FRAGMENTATION AGENTS | 3M INNOVATIVE PROPERTIES CO (US) | 2020-04-22 | — | — | EP | disclosed |
| US-20190290620-A1 | APPLICATIONS OF NOVEL THIAZOLE DERIVATIVE IN TREATING INFLAMMATORY BOWEL DISEASES | EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2019-09-26 | — | — | US | disclosed |