⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7609914 | 0.98 | — | — | |
| Thiosemicarbazide SCHEMBL9066110 | 0.86 | ALDH1A1 (0.37) | — | |
| SCHEMBL29047892 | 0.81 | — | — | |
| SCHEMBL29047894 | 0.78 | NOS3 (0.39) | — | |
| SCHEMBL6609018 | 0.76 | EPHX1 (0.43) | — | |
| SCHEMBL29047900 | 0.74 | EPHX1 (0.46) | — | |
| SCHEMBL29047901 | 0.74 | EPHX1 (0.46) | — | |
| SCHEMBL259855 | 0.74 | — | — | |
| Bromide SCHEMBL19856401 | 0.72 | EPHX1 (0.43) | — | |
| Bromide SCHEMBL9983514 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113929866-B | Modified resin and resin composition | 旭化成株式会社 | 2023-07-07 | — | — | CN | disclosed |
| US-4338248-A | RADIOACTIVE DIAGNOSTIC AGENT | NIHON MEDI-PHYSICS CO., LTD. (JP) | 1982-07-06 | — | — | US | disclosed |
| EP-0024464-B1 | 2-OXOPROPIONALDEHYDE BIS(THIOSEMICARBAZONE)DERIVATIVES AND THEIR PRODUCTION AND USE | NIHON MEDI-PHYSICS CO., LTD. (JP) | 1982-05-12 | — | — | EP | disclosed |
| US-4287362-A | AS CHELATING AGENTS IN COMBINATION WITH PROTEINS AND A RADIOACTIVE ISOTOPE OF TECHNETIUM FOR DIAGNOSIS | NIHON MEDI-PHYSICS CO., LTD. (JP) | 1981-09-01 | — | — | US | disclosed |
| EP-0024464-A1 | 2-Oxopropionaldehyde bis(thiosemicarbazone)derivatives and their production and use | NIHON MEDI-PHYSICS CO., LTD. (JP) | 1981-03-11 | — | — | EP | disclosed |