⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL827157 | 0.94 | ALDH1A1 (0.39) | — | |
| SCHEMBL28297965 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL14356175 | 0.76 | GSTP1 (0.55) | — | |
| SCHEMBL9350883 | 0.75 | CDK1 (0.38) | — | |
| SCHEMBL826790 | 0.75 | ALDH1A1 (0.44) | — | |
| SCHEMBL27451850 | 0.73 | CDK1 (0.35) | — | |
| SCHEMBL28814389 | 0.72 | CXCR3 (0.36) | — | |
| SCHEMBL15163818 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL826560 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL29071764 | 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 132 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114410378-A | Longan aroma compound and preparation method thereof | 东莞波顿香料有限公司 | 2022-04-29 | — | — | CN | claimed |
| CN-109761810-A | A kind of preparation method of torpescence alkene aryl compound | 浙江工业大学 | 2019-05-17 | — | — | CN | claimed |
| US-5045108-A | Herbicidal and plant growth-regulating N-aryl-pyrrol-L-one and isoindol-2-one compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1991-09-03 | — | — | US | claimed |
| CN-117355501-A | Methyl methacrylate-containing composition, method for preserving methyl methacrylate-containing composition, and method for producing methyl methacrylate polymer | 三菱化学株式会社 | 2024-01-05 | — | — | CN | disclosed |
| CN-116217386-A | Carboxylic acid compound and preparation method and application thereof | 五邑大学 | 2023-06-06 | — | — | CN | disclosed |
| CN-114410378-A | Longan aroma compound and preparation method thereof | 东莞波顿香料有限公司 | 2022-04-29 | — | — | CN | disclosed |
| US-11174272-B2 | 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2021-11-16 | — | — | US | disclosed |
| CN-107428700-B | 9-membered fused ring derivative | 盐野义制药株式会社 | 2021-08-03 | — | — | CN | disclosed |
| US-20210206781-A1 | 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | TAKEDA PHARMACEUTICALS CO (JP) | 2021-07-08 | — | — | US | disclosed |
| US-10717748-B2 | 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-07-21 | — | — | US | disclosed |
| EP-3670496-A2 | ACC2 INHIBITORS | Shionogi&Co., Ltd. (JP) | 2020-06-24 | — | — | EP | disclosed |
| US-20090270359-A1 | SUBSTITUTED PYRAZOLE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-10-29 | — | — | US | disclosed |
| WO-2009119880-A1 | SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-10-01 | — | — | WO | disclosed |
| US-20090163488-A1 | FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-06-25 | — | — | US | disclosed |
| US-20090137595-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-05-28 | — | — | US | disclosed |
| EP-2049541-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008150015-A1 | HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-12-11 | — | — | WO | disclosed |
| WO-2008016192-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-02-07 | — | — | WO | disclosed |
| US-5045108-A | Herbicidal and plant growth-regulating N-aryl-pyrrol-L-one and isoindol-2-one compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1991-09-03 | — | — | US | disclosed |
| EP-0403891-A1 | N-Aryl-nitrogen-heterocyclic compounds | BAYER AG (DE) | 1990-12-27 | — | — | EP | disclosed |