⚠ 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 SCHEMBL26618819 | 0.97 | — | — | |
| SCHEMBL290961 | 0.75 | — | — | |
| SCHEMBL211940 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL6357187 | 0.73 | — | — | |
| SCHEMBL1030556 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL15268990 | 0.73 | — | — | |
| SCHEMBL1604439 | 0.73 | — | — | |
| Trifluoroacetamide SCHEMBL28877296 | 0.71 | HDAC6 (0.35) | — | |
| Trifluoroacetamide SCHEMBL20137335 | 0.71 | HDAC6 (0.35) | — | |
| SCHEMBL4654792 | 0.71 | ACLY (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4977273-A | RADIATION-SENSITIZING ANTITUMOR AGENTS | Kyoto University of Honmachi (JP) | 1990-12-11 | — | — | US | disclosed |
| EP-0373630-A1 | Novel fluorine-containing 2-nitroimidazole derivatives and radiosensitizer comprising the same | KYOTO UNIVERSITY (JP) | 1990-06-20 | — | — | EP | disclosed |