⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9804253 | 0.90 | — | — | |
| SCHEMBL6941234 | 0.82 | EPHX1 (0.31) | — | |
| SCHEMBL10397589 | 0.78 | CHRM2 (0.36) | — | |
| SCHEMBL9103020 | 0.78 | — | — | |
| SCHEMBL20118545 | 0.78 | ATM (0.41) | — | |
| SCHEMBL2447355 | 0.76 | — | — | |
| SCHEMBL2011670 | 0.76 | — | — | |
| SCHEMBL1691304 | 0.76 | — | — | |
| SCHEMBL14996233 | 0.75 | CYP1A2 (0.30) | — | |
| SCHEMBL14351517 | 0.75 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2499120-A1 | NOVEL 1,3-OXAZOLIDINE COMPOUNDS AND THEIR USE AS RENIN INHIBITORS | Novadex Pharmaceuticals AB (SE) | 2012-09-19 | — | — | EP | disclosed |
| EP-0973768-B1 | AZOLE COMPOUNDS, THEIR PRODUCTION AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-07-09 | — | — | EP | disclosed |
| US-6583164-B1 | Lyophilized imidazole-1-yl or 1,2,4-triazole-1-yl quaternized with a alklycarbonyloxy alkyl group eliminated in vivo; a saccharide; 4-acetoxymethyl-1-(3-(2-oxo-3-(4-(1H-tetrazol-yl) phenyl)-1-imidazolydinyl)butyl)-1H-1,2,4-triazolium chloride | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-06-24 | — | — | US | disclosed |
| US-6407129-B1 | INJECTABLE QUATERNIZED SALT FUNGICIDES; WATER SOLUBILITY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-06-18 | — | — | US | disclosed |
| EP-1120116-A1 | ANTIMYCOTIC DRUG COMPOSITION | Takeda Chemical Industries, Ltd. (JP) | 2001-08-01 | — | — | EP | disclosed |
| EP-1068210-A2 | PROCESS FOR THE PRODUCTION OF PURINE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 2001-01-17 | — | — | EP | disclosed |
| WO-1999051604-A2 | PROCESS FOR THE PRODUCTION OF PURINE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 1999-10-14 | — | — | WO | disclosed |
| EP-0247472-B1 | PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID DERIVATIVES | BAYER AG (DE) | 1992-02-12 | — | — | EP | disclosed |
| EP-0247472-A2 | Process for the preparation of carboxylic acid derivatives | BAYER AG (DE) | 1987-12-02 | — | — | EP | disclosed |