⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL753951 | 0.94 | — | — | |
| Butane SCHEMBL2304316 | 0.89 | TSHR (0.33) | — | |
| Butane SCHEMBL28274012 | 0.89 | — | — | |
| Butane SCHEMBL183300 | 0.82 | — | — | |
| Butane SCHEMBL1238104 | 0.82 | — | — | |
| Isobutane SCHEMBL3743696 | 0.80 | LMNA (0.35) | — | |
| Butane SCHEMBL27534615 | 0.80 | ALDH1A1 (0.33) | — | |
| Butane SCHEMBL1397127 | 0.77 | ALDH1A1 (0.44) | — | |
| Butane SCHEMBL10936122 | 0.76 | — | — | |
| Propane SCHEMBL514707 | 0.76 | — | — |
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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115124497-B | Preparation method of Mollanol A | 兰州大学 | 2023-05-30 | — | — | CN | claimed |
| CN-115232175-B | Fluorine-containing quasi-C2 symmetrical silicon bridged metallocene complex and application thereof | 山东金诚石化集团有限公司 | 2024-06-14 | — | — | CN | disclosed |
| CN-117343108-A | Organic electroluminescent material and device | 环球展览公司 | 2024-01-05 | — | — | CN | disclosed |
| CN-111909216-B | Organic electroluminescent material and device | 环球展览公司 | 2023-12-05 | — | — | CN | disclosed |
| CN-110770211-B | Alpha, beta unsaturated amide compound | 协和麒麟株式会社 | 2023-09-19 | — | — | CN | disclosed |
| CN-116655679-A | Hexamethyldisiloxane and preparation method thereof | 金宏气体股份有限公司 | 2023-08-29 | — | — | CN | disclosed |
| CN-115448918-B | Phenanthroline ligand and application thereof in copper-catalyzed aryl halide coupling reaction | 江西德璟生物科技有限公司 | 2023-07-25 | — | — | CN | disclosed |
| CN-116332910-A | 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof | 江苏威凯尔医药科技有限公司 | 2023-06-27 | — | — | CN | disclosed |
| CN-111153941-B | Silicon bridged metallocene complex with nitrogen-containing heterocyclic structure and application thereof | 山东金诚石化集团有限公司 | 2023-05-30 | — | — | CN | disclosed |
| US-11618762-B2 | Compound, raw material for forming thin film, method for manufacturing thin film, and amidine compound | ADEKA CORPORATION (JP) | 2023-04-04 | — | — | US | disclosed |
| EP-1484320-A1 | JNK INHIBITOR | Takeda Chemical Industries, Ltd. (JP) | 2004-12-08 | — | — | EP | disclosed |
| US-20040180930-A1 | Novel atisane compounds and use thereof | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2004-09-16 | — | — | US | disclosed |
| EP-1382591-A1 | NOVEL ATISANE COMPOUND AND USE THEREOF | Eisai Co., Ltd. (JP) | 2004-01-21 | — | — | EP | disclosed |
| US-20030232274-A1 | Photoacid-labile polymers and photoresists comprising same | SHIPLEY COMPANY, L.L.C. | 2003-12-18 | — | — | US | disclosed |
| EP-1254904-A1 | NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME | Eisai Co., Ltd. (JP) | 2002-11-06 | — | — | EP | disclosed |
| EP-1142587-A1 | REMEDIES FOR PAIN | MEIJI SEIKA KAISHA LTD. (JP) | 2001-10-10 | — | — | EP | disclosed |
| US-6184388-B1 | ANTIBACTERIAL AND ANTIMICROBIAL, QUINOLINE ANTIBIOTIC | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2001-02-06 | — | — | US | disclosed |
| US-6121285-A | 5-AMINO-7-(4-(1-AMINOCYCLOPROPYL-3-FLUORO-1-PYRROLIDINYL)-6 -FLUORO-1-(2-FLUORO-1-CYCLOPROPYL)-1,4-DIHYDRO-8-METHOXY-4-OXOQUINOLINE-3 -CARBOXYLIC ACID, FOR EXAMPLE; ANTIMICROBIAL DRUGS WITH HIGH SAFETY | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2000-09-19 | — | — | US | disclosed |
| JP-2000198751-A | NEW COMPOUND CONTAINING CROSSLINKABLE GROUP | MITSUBISHI CHEMICALS CORP | 2000-07-18 | — | — | JP | disclosed |
| EP-0911328-A1 | SUBSTITUTED AMINOCYCLOALKYLPYRROLIDINE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1999-04-28 | — | — | EP | disclosed |