⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19313506 | 0.82 | — | — | |
| SCHEMBL25125830 | 0.82 | — | — | |
| SCHEMBL27550591 | 0.79 | — | — | |
| SCHEMBL27729359 | 0.76 | — | — | |
| SCHEMBL27689160 | 0.76 | PTGS1 (0.32) | — | |
| SCHEMBL27555900 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL27689224 | 0.76 | PTGS1 (0.32) | — | |
| SCHEMBL28321742 | 0.76 | PTGS1 (0.32) | — | |
| SCHEMBL27689243 | 0.76 | PTGS1 (0.32) | — | |
| Iodide SCHEMBL27507499 | 0.74 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106661735-A | Palladium plating solution and palladium coating obtained using same | 日本高纯度化学株式会社 | 2017-05-10 | — | — | CN | claimed |
| US-20190330189-A1 | ANTIBACTERIAL COMPOUNDS | JANSSEN SCIENCES IRELAND UC (IE) | 2019-10-31 | — | — | US | disclosed |
| CN-106661735-A | Palladium plating solution and palladium coating obtained using same | 日本高纯度化学株式会社 | 2017-05-10 | — | — | CN | disclosed |
| EP-1089974-A4 | PROCESS TO PREPARE DIHYDROPYRIDINE AND DERIVATIVES THEREOF | HOECHST CELANESE CORP (US) | 2001-05-30 | — | — | EP | disclosed |
| EP-1089974-A1 | PROCESS TO PREPARE DIHYDROPYRIDINE AND DERIVATIVES THEREOF | Hoechst Celanese Corporation (US) | 2001-04-11 | — | — | EP | disclosed |
| US-5977369-A | Process to prepare dihydropyridine and derivatives thereof | NAPP TECHNOLOGIES, INC. (US) | 1999-11-02 | — | — | US | disclosed |
| WO-1997024326-A1 | PROCESS TO PREPARE DIHYDROPYRIDINE AND DERIVATIVES THEREOF | HOECHST CELANESE CORPORATION (US) | 1997-07-10 | — | — | WO | disclosed |
| EP-0534520-B1 | Process for the preparation of 4-substituted-1,4-dihydropyridines | MERCK & CO INC (US) | 1997-03-19 | — | — | EP | disclosed |
| US-5310917-A | Process for the preparation of 4-substituted-1,4-dihydropydrines | MERCK & CO., INC. (US) | 1994-05-10 | — | — | US | disclosed |
| CN-1070907-A | Preparation 4-replaces-1, the novel method of 4-dihydropyridine | MERCK & CO INC (US) | 1993-04-14 | — | — | CN | disclosed |
| WO-1993006082-A1 | PROCESS FOR THE PREPARATION OF 4-SUBSTITUTED-1,4-DIHYDROPYRIDINES | MERCK & CO., INC. (US) | 1993-04-01 | — | — | WO | disclosed |
| EP-0534520-A2 | Process for the preparation of 4-substituted-1,4-dihydropyridines | MERCK & CO. INC. (US) | 1993-03-31 | — | — | EP | disclosed |