⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9550315 | 0.88 | CTSL (0.35) | — | |
| SCHEMBL13727309 | 0.72 | POLB (0.47) | — | |
| SCHEMBL1509176 | 0.71 | — | — | |
| SCHEMBL9550375 | 0.71 | POLB (0.47) | — | |
| SCHEMBL603970 | 0.71 | — | — | |
| Acetonitrile SCHEMBL27843310 | 0.69 | — | — | |
| SCHEMBL9856415 | 0.69 | — | — | |
| SCHEMBL19434993 | 0.65 | — | — | |
| SCHEMBL12633322 | 0.65 | — | — | |
| SCHEMBL10578679 | 0.65 | — | — |
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 26 patents — showing the first 20. 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 |
| US-5478356-A | Cyanoamines and compositions useful for bleaching | THE CLOROX COMPANY (US) | 1995-12-26 | — | — | US | 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-112955183-B | Bioconjugates of polysaccharides and elastin-like polypeptides and uses thereof | 波尔多聚合技术研究所 | 2024-04-30 | — | — | CN | disclosed |
| CN-114369086-B | ortho-C-H cyanation of heteroaromatics using Azobisisobutyronitrile (AIBN) as the nitrile source copper | 温州大学 | 2023-05-09 | — | — | CN | disclosed |
| CN-113773238-B | Method for synthesizing alkyl thiocyanate by one-step method | 北京理工大学 | 2022-07-05 | — | — | CN | disclosed |
| CN-114369086-A | Method for promoting o-C-H cyanation of heteroarene promoted by adopting Azobisisobutyronitrile (AIBN) as nitrile source copper | 温州大学 | 2022-04-19 | — | — | 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-112955183-A | Bioconjugates of polysaccharides and elastin-like polypeptides and uses thereof | 波尔多聚合技术研究所 | 2021-06-11 | — | — | CN | disclosed |
| US-10177410-B2 | Lithium secondary battery electrolyte and lithium secondary battery including same | SK INNOVATION CO., LTD. (KR) | 2019-01-08 | — | — | US | disclosed |
| CN-103146220-B | Symmetric pentamethyl cyanine dye and application thereof to molecular imaging | UNIV XIDIAN | 2014-08-06 | — | — | CN | disclosed |
| CN-103146220-A | Symmetric pentamethyl cyanine dye and application thereof to molecular imaging | UNIV XIDIAN | 2013-06-12 | — | — | CN | disclosed |
| WO-2004091603-A1 | USE OF AN ESTER OF DHA FOR THE TREATMENT OF CARDIOVASCULAR DISEASES | CLINIGENETICS (FR) | 2004-10-28 | — | — | WO | disclosed |
| US-5478356-A | Cyanoamines and compositions useful for bleaching | THE CLOROX COMPANY (US) | 1995-12-26 | — | — | US | disclosed |
| US-5478356-A | Cyanoamines and compositions useful for bleaching | THE CLOROX COMPANY (US) | 1995-12-26 | — | — | US | disclosed |
| US-5216173-A | Curing agents for epoxy resins; polyimides | HENKEL RESEARCH CORPORATION (US) | 1993-06-01 | — | — | US | disclosed |
| EP-0484381-A1 | N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF | HENKEL RESEARCH CORPORATION (US) | 1992-05-13 | — | — | EP | disclosed |
| WO-1991001307-A2 | N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF | HENKEL RESEARCH CORPORATION (US) | 1991-02-07 | — | — | WO | disclosed |