⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7476995 | 1.00 | SMN1; SMN2 (0.55) | — | |
| SCHEMBL8103221 | 0.92 | GSK3B (0.50) | — | |
| SCHEMBL15326919 | 0.87 | GSK3B (0.47) | — | |
| SCHEMBL2420515 | 0.80 | CYP1A2 (0.77) | — | |
| SCHEMBL2511237 | 0.80 | CYP1A2 (0.53) | — | |
| SCHEMBL6745596 | 0.78 | SMN1; SMN2 (0.55) | — | |
| SCHEMBL7337375 | 0.77 | HTR5A (0.47) | — | |
| SCHEMBL5178865 | 0.77 | CYP1A2 (0.80) | — | |
| SCHEMBL9793307 | 0.76 | CYP1A2 (0.67) | — | |
| SCHEMBL31095197 | 0.75 | GAA (0.58) | — |
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-110776406-B | Novel Friedel-Crafts reaction method and catalyst thereof | 福建永晶科技股份有限公司 | 2022-11-04 | — | — | CN | disclosed |
| CN-110776406-A | Novel Friedel-Crafts reaction method and catalyst thereof | 福建永晶科技股份有限公司 | 2020-02-11 | — | — | CN | disclosed |
| EP-1194401-B1 | DIACYLHYDRAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2003-09-10 | — | — | EP | disclosed |
| WO-2003059872-A1 | AVB3 AND AVB5 INTEGRIN ANTAGONISTS AND METHODS OF TREATING DISEASES OR CONDITIONS ASSOCIATED WITH AVB3 AND AVB5 INTEGRINS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-07-24 | — | — | WO | disclosed |
| EP-1194401-A1 | DIACYLHYDRAZINE DERIVATIVES | MERCK PATENT GmbH (DE) | 2002-04-10 | — | — | EP | disclosed |
| WO-2001005753-A1 | DIACYLHYDRAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2001-01-25 | — | — | WO | disclosed |