⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL66166 | 0.76 | — | — | |
| SCHEMBL5719204 | 0.70 | — | — | |
| SCHEMBL47739 | 0.70 | — | — | |
| SCHEMBL7668632 | 0.70 | — | — | |
| Water SCHEMBL28206382 | 0.68 | — | — | |
| SCHEMBL262158 | 0.67 | — | — | |
| SCHEMBL30616328 | 0.67 | — | — | |
| SCHEMBL14394409 | 0.67 | — | — | |
| SCHEMBL819877 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL29071582 | 0.67 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114907216-B | Hydrogenation method of dicyanoethyl tertiary amine | 万华化学集团股份有限公司 | 2024-02-02 | — | — | CN | claimed |
| CN-116969845-A | Dicyanoethyl tertiary amine hydrogenation method for reducing polycondensate content | 万华化学集团股份有限公司 | 2023-10-31 | — | — | CN | claimed |
| CN-114591200-B | Preparation method of dicyanoethyl tertiary amine | 万华化学集团股份有限公司 | 2023-07-14 | — | — | CN | claimed |
| CN-114591200-A | Preparation method of dicyanoethyl tertiary amine | 万华化学集团股份有限公司 | 2022-06-07 | — | — | CN | claimed |
| CN-1813343-A | Organic polymers, electronic devices, and methods | 3M INNOVATIVE PROPERTIES CO (US) | 2006-08-02 | — | — | CN | claimed |
| CN-1784772-A | Organic polymer, laminate and capacitor | 3M INNOVATIVE PROPERTIES CO (US) | 2006-06-07 | — | — | CN | claimed |
| CN-114907216-B | Hydrogenation method of dicyanoethyl tertiary amine | 万华化学集团股份有限公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-116969845-A | Dicyanoethyl tertiary amine hydrogenation method for reducing polycondensate content | 万华化学集团股份有限公司 | 2023-10-31 | — | — | CN | disclosed |
| CN-114591200-B | Preparation method of dicyanoethyl tertiary amine | 万华化学集团股份有限公司 | 2023-07-14 | — | — | CN | disclosed |
| CN-114835588-B | Method for preparing dicyanoethyl alicyclic amine through hydrogenation | 万华化学集团股份有限公司 | 2023-05-26 | — | — | CN | disclosed |
| CN-114907216-A | Hydrogenation method of dicyanoethyl tertiary amine | 万华化学集团股份有限公司 | 2022-08-16 | — | — | CN | disclosed |
| CN-114591200-A | Preparation method of dicyanoethyl tertiary amine | 万华化学集团股份有限公司 | 2022-06-07 | — | — | CN | disclosed |
| CN-1813343-A | Organic polymers, electronic devices, and methods | 3M INNOVATIVE PROPERTIES CO (US) | 2006-08-02 | — | — | CN | disclosed |
| CN-1784772-A | Organic polymer, laminate and capacitor | 3M INNOVATIVE PROPERTIES CO (US) | 2006-06-07 | — | — | CN | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |