⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4790355 | 1.00 | — | — | |
| SCHEMBL10066826 | 1.00 | — | — | |
| SCHEMBL22312094 | 0.71 | — | — | |
| SCHEMBL5477804 | 0.71 | — | — | |
| SCHEMBL9918356 | 0.69 | — | — | |
| SCHEMBL10035110 | 0.69 | — | — | |
| SCHEMBL25143352 | 0.67 | — | — | |
| SCHEMBL584510 | 0.67 | — | — | |
| SCHEMBL19779370 | 0.65 | — | — | |
| Thiocyanic Acid SCHEMBL5827436 | 0.64 | CA1 (0.43) | — |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0813518-B1 | PROCESS FOR PREPARING ALPHA,BETA-DIAMINOACRYLNITRILES | BASF AG (DE) | 1998-12-23 | — | — | EP | claimed |
| EP-0276329-B1 | 2,3-DIAMINOACRYLONITRILE DERIVATIVES | NIPPON SODA CO., LTD. (JP) | 1991-03-06 | — | — | EP | claimed |
| US-4990630-A | Chemical intermediates/ | NIPPON SODA CO., LTD. (JP) | 1991-02-05 | — | — | US | claimed |
| EP-0276329-A1 | 2,3-DIAMINOACRYLONITRILE DERIVATIVES. | NIPPON SODA CO (JP) | 1988-08-03 | — | — | EP | claimed |
| US-4734499-A | Preparation of α,β-diaminoacrylonitriles | BASF AKTIENGESELLSCHAFT (DE) | 1988-03-29 | — | — | US | claimed |
| WO-1988001264-A1 | 2,3-DIAMINOACRYLONITRILE DERIVATIVES | NIPPON SODA CO., LTD. (JP) | 1988-02-25 | — | — | WO | claimed |
| JP-9143168-A | — | — | None | — | — | JP | disclosed |
| JP-9202765-A | — | — | None | — | — | JP | disclosed |
| JP-2017163-A | — | — | None | — | — | JP | disclosed |
| JP-9124616-A | — | — | None | — | — | JP | disclosed |
| WO-2016029843-A1 | NAPHTHALENE DIIMIDE CONTAINING 2-(1,3-DITHIO/SELENO-2-SUBUNIT)ETHYLCYANIDE CONJUGATE STRUCTURAL UNIT AND DERIVATIVES THEREOF | 中国科学院上海有机化学研究所 | 2016-03-03 | — | — | WO | disclosed |
| WO-2008102678-A1 | FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME | MITSUI CHEMICALS, INC. (JP) | 2008-08-28 | — | — | WO | disclosed |
| WO-2008081711-A1 | 2-FLUORINATED ACYL-3-AMINOACRYLONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME | MITSUI CHEMICALS AGRO, INC. (JP) | 2008-07-10 | — | — | WO | disclosed |
| EP-0276329-A1 | 2,3-DIAMINOACRYLONITRILE DERIVATIVES. | NIPPON SODA CO (JP) | 1988-08-03 | — | — | EP | disclosed |
| EP-0276329-A1 | 2,3-DIAMINOACRYLONITRILE DERIVATIVES. | NIPPON SODA CO (JP) | 1988-08-03 | — | — | EP | disclosed |
| US-4734499-A | Preparation of α,β-diaminoacrylonitriles | BASF AKTIENGESELLSCHAFT (DE) | 1988-03-29 | — | — | US | disclosed |
| US-4734499-A | Preparation of α,β-diaminoacrylonitriles | BASF AKTIENGESELLSCHAFT (DE) | 1988-03-29 | — | — | US | disclosed |
| US-4734499-A | Preparation of α,β-diaminoacrylonitriles | BASF AKTIENGESELLSCHAFT (DE) | 1988-03-29 | — | — | US | disclosed |
| WO-1988001264-A1 | 2,3-DIAMINOACRYLONITRILE DERIVATIVES | NIPPON SODA CO., LTD. (JP) | 1988-02-25 | — | — | WO | disclosed |
| WO-1988001264-A1 | 2,3-DIAMINOACRYLONITRILE DERIVATIVES | NIPPON SODA CO., LTD. (JP) | 1988-02-25 | — | — | WO | disclosed |