⚠ 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL7863243 | 1.00 | ALDH1A1 (0.89) | — | |
| Hydrogen Sulfide SCHEMBL8064910 | 0.95 | ALDH1A1 (0.80) | — | |
| Hydrogen Sulfide SCHEMBL22117256 | 0.95 | — | — | |
| Hydrogen Sulfide SCHEMBL1789454 | 0.95 | ALDH1A1 (0.80) | — | |
| Tetrahydrofuran SCHEMBL7148609 | 0.95 | — | — | |
| SCHEMBL9576477 | 0.94 | ALDH1A1 (1.00) | — | |
| Tetrahydrofuran SCHEMBL130914 | 0.94 | — | — | |
| SCHEMBL30466481 | 0.94 | ALDH1A1 (1.00) | — | |
| Tetrahydrofuran SCHEMBL1982618 | 0.94 | — | — | |
| SCHEMBL3455441 | 0.94 | ALDH1A1 (1.00) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109504242-A | One kind can be automatically repaired corrosion-inhibiting coating and preparation method thereof in acidic environment | 郑州师范学院 | 2019-03-22 | — | — | CN | claimed |
| CN-102159078-A | Compounds as kinase inhibitors | ADVENCHEN LAB LLC | 2011-08-17 | — | — | CN | claimed |
| CN-117263904-A | Preparation method of tetrahydrothiophene | 中海油天津化工研究设计院有限公司 | 2023-12-22 | — | — | CN | disclosed |
| CN-117263905-A | Method for producing tetrahydrothiophene | 中海油天津化工研究设计院有限公司 | 2023-12-22 | — | — | CN | disclosed |
| CN-218601258-U | Analyzer convenient to accomodate | 滕州市悟通香料有限责任公司 | 2023-03-10 | — | — | CN | disclosed |
| CN-111342011-B | Lithium iron phosphate/sulfur carbon composite cathode material, preparation method thereof, lithium ion battery cathode and lithium ion battery | 沁新集团(天津)新能源技术研究院有限公司 | 2021-07-06 | — | — | CN | disclosed |
| CN-111342011-A | Lithium iron phosphate/sulfur carbon composite cathode material, preparation method thereof, lithium ion battery cathode and lithium ion battery | 沁新集团(天津)新能源技术研究院有限公司 | 2020-06-26 | — | — | CN | disclosed |
| CN-109567134-A | Beef-flavouring paste essence and preparation method thereof | 湖南汇湘轩生物科技股份有限公司 | 2019-04-05 | — | — | CN | disclosed |
| CN-109504242-A | One kind can be automatically repaired corrosion-inhibiting coating and preparation method thereof in acidic environment | 郑州师范学院 | 2019-03-22 | — | — | CN | disclosed |
| CN-105285897-B | A kind of allotment type lenthionine and preparation method thereof | 上海应用技术学院 | 2018-06-29 | — | — | CN | disclosed |
| CN-102159078-A | Compounds as kinase inhibitors | ADVENCHEN LAB LLC | 2011-08-17 | — | — | CN | disclosed |
| CN-1993359-A | Heterocycle -substituted cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors | AVENTIS PHARMA SA (FR) | 2007-07-04 | — | — | CN | disclosed |
| US-5162324-A | Naphyl piperazines useful as 5-HT1A receptor ligands | ADIR ET COMPAGNIE (FR) | 1992-11-10 | — | — | US | disclosed |