⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28348232 | 0.97 | ABCB11 (0.42) | — | |
| SCHEMBL29284716 | 0.82 | TSHR (0.32) | — | |
| SCHEMBL28349778 | 0.77 | CA12 (0.43) | — | |
| SCHEMBL28009837 | 0.75 | CA12 (0.42) | — | |
| SCHEMBL8847739 | 0.74 | — | — | |
| SCHEMBL28156197 | 0.72 | KDM4E (0.36) | — | |
| SCHEMBL17755490 | 0.72 | — | — | |
| SCHEMBL28344461 | 0.72 | KDM4E (0.36) | — | |
| SCHEMBL8847735 | 0.72 | — | — | |
| SCHEMBL31218224 | 0.70 | CA12 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108543077-B | Mesoporous silica nanoparticle of disulfiram monomer and preparation method and application thereof | 武汉迈德森医药科技股份有限公司 | 2021-04-30 | — | — | CN | claimed |
| CN-110683975-A | Synthesis method of dialkyl amino alkyl dithioformate | 成都理工大学 | 2020-01-14 | — | — | CN | claimed |
| CN-118218124-A | Sorting method for coarse and fine sorting of nickel sulfide copper ores | 金川集团镍钴有限公司 | 2024-06-21 | — | — | CN | disclosed |
| CN-108543077-B | Mesoporous silica nanoparticle of disulfiram monomer and preparation method and application thereof | 武汉迈德森医药科技股份有限公司 | 2021-04-30 | — | — | CN | disclosed |
| CN-110683975-B | Synthesis method of dialkyl amino alkyl dithioformate | 成都理工大学 | 2021-04-09 | — | — | CN | disclosed |
| CN-107226599-B | Recycling treatment method of iron-containing heavy metal sludge | 环境保护部南京环境科学研究所 | 2020-02-21 | — | — | CN | disclosed |
| CN-110683975-A | Synthesis method of dialkyl amino alkyl dithioformate | 成都理工大学 | 2020-01-14 | — | — | CN | disclosed |
| EP-2052034-B1 | THIOL DERIVATIVE DYES | BASF SE (DE) | 2016-06-08 | — | — | EP | disclosed |
| EP-2052034-A2 | THIOL DERIVATIVE DYES | Ciba Holding Inc. (CH) | 2009-04-29 | — | — | EP | disclosed |
| WO-2008019977-A2 | THIOL DERIVATIVE DYES | CIBA HOLDING INC. (CH) | 2008-02-21 | — | — | WO | disclosed |