⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL395770 | 0.76 | ALDH1A1 (0.50) | — | |
| SCHEMBL2478806 | 0.75 | ALDH1A1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL4371751 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL13499 | 0.73 | — | — | |
| SCHEMBL21669562 | 0.71 | MEN1 (0.44) | — | |
| SCHEMBL1943624 | 0.71 | — | — | |
| SCHEMBL21337485 | 0.71 | — | — | |
| SCHEMBL10089559 | 0.71 | — | — | |
| SCHEMBL101703 | 0.71 | — | — | |
| SCHEMBL4267703 | 0.71 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113563231-B | Para C-H alkylated arylamine and preparation method thereof | 黑龙江大学 | 2022-07-26 | — | — | CN | disclosed |
| CN-113563231-A | Para C-H alkylated arylamine and preparation method thereof | 黑龙江大学 | 2021-10-29 | — | — | CN | disclosed |
| CN-107207515-B | Pyrazine compounds for the treatment of infectious diseases | 豪夫迈·罗氏有限公司 | 2019-05-28 | — | — | CN | disclosed |
| CN-107207515-A | Pyrazine compounds for the treatment of infectious diseases | 豪夫迈·罗氏有限公司 | 2017-09-26 | — | — | CN | disclosed |
| CN-1680380-B | Method for production of halogen-containing phthalocyanine compound | NIPPON CATALYTIC CHEM IND | 2010-06-23 | — | — | CN | disclosed |
| US-7176310-B1 | Pyrimidinecarboxamide derivatives and their use as anti-inflammatory agents | UCB SA (GB) | 2007-02-13 | — | — | US | disclosed |
| WO-2004085408-A1 | 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES | MITSUBISHI PHARMA CORPORATION (JP) | 2004-10-07 | — | — | WO | disclosed |
| EP-0202697-B1 | SEPARATION PROCESS FOR PARA-FLUORO-ANILINE | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-12-27 | — | — | EP | disclosed |
| EP-0202697-A2 | Separation process for para-fluoro-aniline | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1986-11-26 | — | — | EP | disclosed |