⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9631615 | 0.79 | CRBN (0.44) | — | |
| SCHEMBL7712038 | 0.77 | MAP3K14 (0.32) | — | |
| SCHEMBL7712074 | 0.73 | MAP3K14 (0.40) | — | |
| Water SCHEMBL5331043 | 0.72 | — | — | |
| SCHEMBL11396230 | 0.72 | CRBN (0.41) | — | |
| SCHEMBL6822735 | 0.72 | MAP3K14 (0.39) | — | |
| SCHEMBL28230957 | 0.71 | ALDH1A1 (0.53) | — | |
| SCHEMBL28114713 | 0.70 | MAP3K14 (0.41) | — | |
| Bromide SCHEMBL603971 | 0.70 | MAP3K14 (0.41) | — | |
| SCHEMBL168361 | 0.69 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113773238-B | Method for synthesizing alkyl thiocyanate by one-step method | 北京理工大学 | 2022-07-05 | — | — | CN | claimed |
| CN-113773238-A | Method for synthesizing alkyl thiocyanate by one-step method | 北京理工大学 | 2021-12-10 | — | — | CN | claimed |
| EP-0484381-A1 | N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF | HENKEL RESEARCH CORPORATION (US) | 1992-05-13 | — | — | EP | claimed |
| WO-1991001307-A2 | N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF | HENKEL RESEARCH CORPORATION (US) | 1991-02-07 | — | — | WO | claimed |
| CN-113773238-B | Method for synthesizing alkyl thiocyanate by one-step method | 北京理工大学 | 2022-07-05 | — | — | CN | disclosed |
| CN-113773238-A | Method for synthesizing alkyl thiocyanate by one-step method | 北京理工大学 | 2021-12-10 | — | — | CN | disclosed |
| CN-105359326-B | Lithium secondary cell electrolyte and lithium secondary battery comprising it | SK新技术株式会社 | 2019-01-01 | — | — | CN | disclosed |