⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42956 | 0.85 | ALDH1A1 (0.48) | — | |
| SCHEMBL2523631 | 0.84 | ALDH1A1 (0.41) | — | |
| SCHEMBL1402387 | 0.84 | LMNA (0.36) | — | |
| SCHEMBL2527273 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL29008886 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL10389154 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL17401248 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL4323031 | 0.82 | ALDH1A1 (0.46) | — | |
| Ethane SCHEMBL887641 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL9945703 | 0.82 | ALDH1A1 (0.46) | — |
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 107 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112110944-A | Compound and preparation method and application thereof | 南京谷睿生物科技有限公司 | 2020-12-22 | — | — | CN | claimed |
| US-8461135-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2013-06-11 | — | — | US | claimed |
| US-8039450-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2011-10-18 | — | — | US | claimed |
| CN-114423742-B | Benzotriazole-based compound, light absorber and resin composition | 三井化学株式会社 | 2024-05-28 | — | — | CN | disclosed |
| CN-117466830-A | Benzotriazole-based compound, light absorber and resin composition | 三井化学株式会社 | 2024-01-30 | — | — | CN | disclosed |
| CN-114423742-A | Benzotriazole compound, light absorber, and resin composition | 三井化学株式会社 | 2022-04-29 | — | — | CN | disclosed |
| CN-112110944-B | Compound and preparation method and application thereof | 南京谷睿生物科技有限公司 | 2022-02-11 | — | — | CN | disclosed |
| EP-2123695-B1 | METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION COMPRISING THE COMPOUND, RESIN, AND USE OF THE RESIN | MITSUI CHEMICALS INC (JP) | 2021-06-23 | — | — | EP | disclosed |
| CN-112110944-A | Compound and preparation method and application thereof | 南京谷睿生物科技有限公司 | 2020-12-22 | — | — | CN | disclosed |
| EP-2314637-B1 | COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, OPTICAL COMPONENT, AND PRODUCTION METHOD OF COMPOSITION | MITSUI CHEMICALS INC (JP) | 2017-07-12 | — | — | EP | disclosed |
| EP-2230271-B1 | ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, AND USE OF THE POLYMERIZABLE COMPOSITION | MITSUI CHEMICALS INC (JP) | 2016-09-07 | — | — | EP | disclosed |
| EP-0637298-B1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF AG (DE) | 1999-03-31 | — | — | EP | disclosed |
| US-5817603-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-06 | — | — | US | disclosed |
| EP-0849256-A1 | AMIDE COMPOUNDS AND USE OF THE SAME | Japan Tobacco Inc. (JP) | 1998-06-24 | — | — | EP | disclosed |
| US-5602074-A | HERBICIDES; PLANT DESICCATION, DEFOLIATION | BASF AKTIENGESELLSCHAFT (DE) | 1997-02-11 | — | — | US | disclosed |
| EP-0641321-A1 | SUBSTITUTED ISOINDOLONES | BASF Aktiengesellschaft (DE) | 1995-03-08 | — | — | EP | disclosed |
| EP-0637298-A1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF Aktiengesellschaft (DE) | 1995-02-08 | — | — | EP | disclosed |
| WO-1993024456-A1 | SUBSTITUTED ISOINDOLONES | BASF AKTIENGESELLSCHAFT (DE) | 1993-12-09 | — | — | WO | disclosed |
| WO-1993022280-A1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF AKTIENGESELLSCHAFT (DE) | 1993-11-11 | — | — | WO | disclosed |
| US-3941804-A | 1-Heteroarylsulphonyl-2-imino-imidazolidines | CIBA-GEIGY CORPORATION (US) | 1976-03-02 | — | — | US | disclosed |