⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL28508796 | 0.96 | CES1 (0.41) | — | |
| Trifluoroacetic Acid SCHEMBL28341301 | 0.96 | — | — | |
| Trifluoroacetic Acid SCHEMBL30657022 | 0.95 | — | — | |
| Trifluoroacetic Acid SCHEMBL4598430 | 0.95 | — | — | |
| Trifluoroacetic Acid SCHEMBL7814389 | 0.95 | ALDH1A1 (0.44) | — | |
| Trifluoroacetic Acid SCHEMBL474 | 0.95 | — | — | |
| Trifluoroacetic Acid SCHEMBL2484766 | 0.95 | ALDH1A1 (0.44) | — | |
| Trifluoroacetic Acid SCHEMBL25297651 | 0.91 | ALDH1A1 (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL20541014 | 0.91 | — | — | |
| Trifluoroacetic Acid SCHEMBL901584 | 0.91 | — | — |
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 385 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116410118-B | Preparation method of beta-lactam compound | 中国科学技术大学 | 2025-06-24 | — | — | CN | claimed |
| CN-118324651-A | Preparation method and application of chiral amide | 中国科学技术大学 | 2024-07-12 | — | — | CN | claimed |
| CN-118307410-A | Preparation method of chiral secondary alcohol compound | 武汉大学 | 2024-07-09 | — | — | CN | claimed |
| CN-118056805-A | Preparation method of trifluoroiodomethane | 浙江蓝天环保高科技股份有限公司 | 2024-05-21 | — | — | CN | claimed |
| CN-112441984-B | Benzimidazole-substituted phenyl n-butyramide-based compound and preparation method thereof | 上海特化医药科技有限公司 | 2024-04-19 | — | — | CN | claimed |
| CN-115663152-B | Hard carbon-nitrogen-phosphorus double-doped nano carbon composite carbon material and preparation method thereof | 哈尔滨工业大学 | 2024-03-26 | — | — | CN | claimed |
| CN-117487102-B | SBS modifier and preparation method and application thereof | 新疆独山子石油化工有限公司 | 2024-03-19 | — | — | CN | claimed |
| CN-117487102-A | SBS modifier and preparation method and application thereof | 新疆独山子石油化工有限公司 | 2024-02-02 | — | — | CN | claimed |
| CN-117486795-A | Preparation method of deuterated amide aromatic compound | 浙大宁波理工学院 | 2024-02-02 | — | — | CN | claimed |
| WO-2024010164-A1 | POLYMER COMPOSITION PREPARATION METHOD AND POLYMER COMPOSITION | 주식회사 엘지화학 | 2024-01-11 | — | — | WO | claimed |
| CN-1418856-A | Dimerization and trimerization of 1-butene in ionic liquids to produce C8And C12Process for the preparation of olefins | SHANG PETROCHEMICAL INST SINOP (CN) | 2003-05-21 | — | — | CN | claimed |
| CN-1274363-A | Gas phase prodn. of polydienes with pre-activated nickel catalysts | UNION CARBIDE CHEM PLASTIC (US) | 2000-11-22 | — | — | CN | claimed |
| EP-1001995-A1 | GAS PHASE PRODUCTION OF POLYDIENES WITH PRE-ACTIVATED NICKEL CATALYSTS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-05-24 | — | — | EP | claimed |
| US-6004677-A | Gas phase production of polydienes with pre-activated nickel catalysts | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1999-12-21 | — | — | US | claimed |
| CN-1234807-A | Method for reducing polymer build-up on recycle lines and heat exchangers during butadiene, isoprene and/or styrene polymerization | UNION CARBIDE CHEM PLASTIC (US) | 1999-11-10 | — | — | CN | claimed |
| CN-1043999-C | Bulk polymerization process of butadienes | GOODYEAR TIRE & RUBBER (US) | 1999-07-07 | — | — | CN | claimed |
| WO-1999007745-A1 | GAS PHASE PRODUCTION OF POLYDIENES WITH PRE-ACTIVATED NICKEL CATALYSTS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1999-02-18 | — | — | WO | claimed |
| US-5237116-A | Grignard reagents, diphosphine complex with nickel sulfonate or carboxylate | SHELL OIL COMPANY (US) | 1993-08-17 | — | — | US | claimed |
| EP-0143075-B1 | PROCESS FOR THE PREPARATION OF N-GLYCIDYL COMPOUNDS | CIBA-GEIGY AG (CH) | 1987-11-19 | — | — | EP | claimed |
| US-4540769-A | NITRATE, PERCHLORATE, ALPHA-HALO CARBOXYLATE OR SULFONATE | CIBA-GEIGY CORPORATION (US) | 1985-09-10 | — | — | US | claimed |