⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL971173 | 0.90 | — | — | |
| Tetrahydrofuran SCHEMBL3369904 | 0.81 | ALDH1A1 (0.50) | — | |
| Tetrahydrofuran SCHEMBL15993933 | 0.81 | ALDH1A1 (0.50) | — | |
| SCHEMBL971171 | 0.80 | TSHR (0.43) | — | |
| Fluoride SCHEMBL6463523 | 0.79 | ADH1C (0.31) | — | |
| SCHEMBL8530499 | 0.79 | ALDH1A1 (0.47) | — | |
| Tetrahydrofuran SCHEMBL1896714 | 0.77 | ALDH1A1 (0.44) | — | |
| Butane SCHEMBL27841986 | 0.76 | ALDH1A1 (0.31) | — | |
| Cyclohexane SCHEMBL8471239 | 0.75 | ADH1C (0.32) | — | |
| Fluoride SCHEMBL2116095 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2576567-A1 | NITROIMIDAZOLE DERIVATIVES | GE Healthcare UK Limited (GB) | 2013-04-10 | — | — | EP | disclosed |
| US-20130078185-A1 | NITROIMIDAZOLE DERIVATIVES | GE HEALTHCARE LIMITED (GB) | 2013-03-28 | — | — | US | disclosed |
| WO-2011151320-A1 | NITROIMIDAZOLE DERIVATIVES | GE HEALTHCARE LIMITED (GB) | 2011-12-08 | — | — | WO | disclosed |
| US-7413714-B1 | Sequential reaction system | YMC CO. LTD. (JP) | 2008-08-19 | — | — | US | disclosed |
| EP-1144388-A1 | ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS | Elan Pharmaceuticals, Inc. (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000043372-A1 | ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS | ELAN PHARMACEUTICALS, INC. (US) | 2000-07-27 | — | — | WO | disclosed |
| US-6034021-A | COORDINATION CATALYST | THE DOW CHEMICAL COMPANY (US) | 2000-03-07 | — | — | US | disclosed |
| EP-0378615-A4 | NUCLEOSIDE AND POLYNUCLEOTIDE THIOPHOSPHORAMIDITE AND PHOSPHORODITHIOATE COMPOUNDS AND PROCESSES | — | 1992-04-08 | — | — | EP | disclosed |
| EP-0378615-A1 | NUCLEOSIDE AND POLYNUCLEOTIDE THIOPHOSPHORAMIDITE AND PHOSPHORODITHIOATE COMPOUNDS AND PROCESSES | COMPETITIVE TECHNOLOGIES INC. (US) | 1990-07-25 | — | — | EP | disclosed |
| WO-1989011486-A1 | NUCLEOSIDE AND POLYNUCLEOTIDE THIOPHOSPHORAMIDITE AND PHOSPHORODITHIOATE COMPOUNDS AND PROCESSES | UNIVERSITY PATENTS, INC. (US) | 1989-11-30 | — | — | WO | disclosed |