⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1558716 | 0.72 | — | — | |
| SCHEMBL981116 | 0.72 | — | — | |
| SCHEMBL16445704 | 0.68 | — | — | |
| SCHEMBL4374403 | 0.68 | — | — | |
| SCHEMBL12404372 | 0.68 | — | — | |
| SCHEMBL4574313 | 0.68 | — | — | |
| SCHEMBL7822211 | 0.67 | — | — | |
| SCHEMBL9965032 | 0.65 | NUAK1 (0.31) | — | |
| SCHEMBL9747514 | 0.64 | NUAK1 (0.34) | — | |
| SCHEMBL12184009 | 0.64 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114163409-A | Gastrodia tuber preservative, preparation method thereof and gastrodia tuber preservation method using same | 中国中医科学院中药研究所 | 2022-03-11 | — | — | CN | disclosed |
| CN-105849104-A | Strigolactone formulations and uses thereof | 阿西洛玛生物公司 | 2016-08-10 | — | — | CN | disclosed |
| US-7105509-B2 | Benzodiazepine derivatives as APP modulators | MERCK SHARP & DOHME LIMITED (GB) | 2006-09-12 | — | — | US | disclosed |
| US-20040082572-A1 | Benzodiazepine derivatives as app modulators | MERCK SHARPE & DOHME LIMITED (GB) | 2004-04-29 | — | — | US | disclosed |
| EP-1294702-A1 | BENZODIAZEPINE DERIVATIVES AS APP MODULATORS | MERCK SHARP & DOHME LTD. (GB) | 2003-03-26 | — | — | EP | disclosed |
| WO-2001090084-A1 | BENZODIAZEPINE DERIVATIVES AS APP MODULATORS | MERCK SHARP & DOHME LIMITED (GB) | 2001-11-29 | — | — | WO | disclosed |