⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37553 | 0.79 | — | — | |
| SCHEMBL19581786 | 0.77 | — | — | |
| SCHEMBL1133425 | 0.65 | — | — | |
| SCHEMBL27399 | 0.65 | — | — | |
| SCHEMBL1361148 | 0.65 | — | — | |
| Ethylene SCHEMBL11844746 | 0.65 | — | — | |
| SCHEMBL337298 | 0.64 | — | — | |
| SCHEMBL1863657 | 0.62 | — | — | |
| SCHEMBL107513 | 0.62 | — | — | |
| SCHEMBL23483170 | 0.61 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0973768-B1 | AZOLE COMPOUNDS, THEIR PRODUCTION AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-07-09 | — | — | EP | claimed |
| EP-0973768-A1 | AZOLE COMPOUNDS, THEIR PRODUCTION AND THEIR USE | Takeda Chemical Industries, Ltd. (JP) | 2000-01-26 | — | — | EP | claimed |
| WO-1998043970-A1 | AZOLE COMPOUNDS, THEIR PRODUCTION AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-10-08 | — | — | WO | claimed |
| EP-0138538-B1 | 2-DIOXACYCLOALKYLTHIOPENEM DERIVATIVES | PFIZER INC. (US) | 1988-12-14 | — | — | EP | claimed |
| CN-117120429-A | KHK inhibitor | 吉利德科学公司 | 2023-11-24 | — | — | CN | disclosed |
| EP-2487177-A1 | PYRAZOLOXAZOLE COMPOUND | Eisai R&D Management Co., Ltd. (JP) | 2012-08-15 | — | — | EP | disclosed |
| US-20110086898-A1 | PYRAZOLOOXAZOLE COMPOUND | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-04-14 | — | — | US | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | 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-0973768-A1 | AZOLE COMPOUNDS, THEIR PRODUCTION AND THEIR USE | Takeda Chemical Industries, Ltd. (JP) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998043970-A1 | AZOLE COMPOUNDS, THEIR PRODUCTION AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-10-08 | — | — | WO | disclosed |