⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1408360 | 0.97 | ALDH1A1 (0.61) | — | |
| Hydrazobenzene SCHEMBL51179 | 0.79 | ALDH1A1 (1.00) | — | |
| SCHEMBL19737269 | 0.79 | ALDH1A1 (1.00) | — | |
| SCHEMBL21764766 | 0.76 | ALDH1A1 (0.79) | — | |
| SCHEMBL29728792 | 0.73 | — | — | |
| SCHEMBL58557 | 0.73 | — | — | |
| SCHEMBL13018287 | 0.73 | ALDH1A1 (0.73) | — | |
| Hydrochloric Acid SCHEMBL22263479 | 0.71 | — | — | |
| SCHEMBL5854110 | 0.71 | — | — | |
| Fluoride SCHEMBL28606152 | 0.71 | — | — |
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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103965273-A | Macrolide compound | PU LIKE BIO ENG CO LTD | 2014-08-06 | — | — | CN | claimed |
| CN-117024304-A | Preparation method of N ', N' -diaryl hydrazide compound | 赣南师范大学 | 2023-11-10 | — | — | CN | disclosed |
| CN-103814024-B | Benzylpiperidine compound as lysophosphatidic acid (LPA) receptor antagonist | 默克专利股份公司 | 2016-11-23 | — | — | CN | disclosed |
| US-9187455-B2 | Substituted pyridazines as PDE10A inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2015-11-17 | — | — | US | disclosed |
| EP-2346865-B1 | INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS | MERCK CANADA INC (CA) | 2015-07-15 | — | — | EP | disclosed |
| CN-102405211-B | Proline derivatives as cathepsin inhibitors | HOFFMANN LA ROCHE | 2015-01-21 | — | — | CN | disclosed |
| EP-2398795-B1 | HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2014-10-15 | — | — | EP | disclosed |
| CN-103965273-A | Macrolide compound | PU LIKE BIO ENG CO LTD | 2014-08-06 | — | — | CN | disclosed |
| CN-102239162-B | Pyridazinone derivatives | HOFFMANN LA ROCHE | 2014-05-28 | — | — | CN | disclosed |
| CN-103814024-A | Benzyl piperidine compounds as lysophosphatidic acid (LPA) receptor antagonist | MERCK PATENT GMBH | 2014-05-21 | — | — | CN | disclosed |
| WO-2010031183-A1 | INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS | MERCK FROSST CANADA LTD. (CA) | 2010-03-25 | — | — | WO | disclosed |
| US-7622492-B2 | Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase | HOFFMANN-LA ROCHE INC. (US) | 2009-11-24 | — | — | US | disclosed |
| US-20090130097-A1 | Quinazolinone Compounds and Methods of Use Thereof | ARQULE, INC. (US) | 2009-05-21 | — | — | US | disclosed |
| WO-2009002808-A2 | QUINAZOLINONE COMPOUNDS AND METHODS OF USE THEREOF | ARQULE, INC. (US) | 2008-12-31 | — | — | WO | disclosed |
| EP-1975159-A1 | 2,3,4,9-Tetrahydro-1H-carbazoles | Bayer Schering Pharma Aktiengesellschaft (DE) | 2008-10-01 | — | — | EP | disclosed |
| CN-101253155-A | 11-beta-hydroxysteroid dehydrogenase-1-inhibitor-diabetes-type 2-1 | HOFFMANN LA ROCHE (CH) | 2008-08-27 | — | — | CN | disclosed |
| EP-1924563-A1 | 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 | F.HOFFMANN-LA ROCHE AG (CH) | 2008-05-28 | — | — | EP | disclosed |
| CN-101148421-A | Preparation method for 2-fluorophenylhydrazine | TAICHANG HUALIAN CHEMICAL INDU (CN) | 2008-03-26 | — | — | CN | disclosed |
| WO-2007025892-A1 | 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 | F. HOFFMANN-LA ROCHE AG (CH) | 2007-03-08 | — | — | WO | disclosed |
| US-20070049632-A1 | Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase | BANNER BRUCE L | 2007-03-01 | — | — | US | disclosed |