⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4019230 | 0.85 | — | — | |
| SCHEMBL1123588 | 0.80 | — | — | |
| SCHEMBL7112610 | 0.79 | CES2 (0.37) | — | |
| SCHEMBL11073448 | 0.78 | — | — | |
| SCHEMBL45850 | 0.76 | — | — | |
| SCHEMBL9247545 | 0.76 | — | — | |
| SCHEMBL23118829 | 0.76 | CES2 (0.48) | — | |
| SCHEMBL1123634 | 0.76 | CES2 (0.48) | — | |
| SCHEMBL1123304 | 0.76 | CES2 (0.48) | — | |
| SCHEMBL1123380 | 0.76 | CES2 (0.48) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104807895-A | Method for analyzing distribution of sulfur in methyl tert-butyl ether, sulfide qualitative analysis database, and use of database | CHINA PETROLEUM & CHEMICAL | 2015-07-29 | — | — | CN | claimed |
| CN-118161500-A | Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use | 安进公司 | 2024-06-11 | — | — | CN | disclosed |
| CN-114728167-B | Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use | 安进公司 | 2024-03-19 | — | — | CN | disclosed |
| CN-115394921-A | Artificial loop die body structure based on three-dimensional synapse and preparation method thereof | 南开大学 | 2022-11-25 | — | — | CN | disclosed |
| CN-114956933-A | Marker containing isotope oxygen atom and preparation method and application thereof | 清华大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-114728167-A | Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use | 安进公司 | 2022-07-08 | — | — | CN | disclosed |
| EP-3920303-A1 | ELECTROLYTE AND ELECTROCHEMICAL DEVICE | Ningde Amperex Technology Limited (CN) | 2021-12-08 | — | — | EP | disclosed |
| CN-104807895-B | The analysis method of sulphur content cloth, the sulfide qualitative analysis database utilized and application thereof in a kind of methyl tert-butyl ether product | 中国石油化工股份有限公司 | 2019-07-09 | — | — | CN | disclosed |
| CN-104807895-A | Method for analyzing distribution of sulfur in methyl tert-butyl ether, sulfide qualitative analysis database, and use of database | CHINA PETROLEUM & CHEMICAL | 2015-07-29 | — | — | CN | disclosed |
| US-8552066-B2 | Modified chalcone compounds as antimitotic agents | ARIZONA BIOMEDICAL RESEARCH COMMISSION (US) | 2013-10-08 | — | — | US | disclosed |
| EP-1957447-A1 | INDANYL-AND TETRAHYDRONAPHTYL-AMINO-THIOUREA COMPOUNDS FOR COMBATING ANIMAL PESTS | BASF SE (DE) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007060120-A1 | INDANYL-AND TETRAHYDRONAPHTYL-AMINO-THIOUREA COMPOUNDS FOR COMBATING ANIMAL PESTS | BASF SE (DE) | 2007-05-31 | — | — | WO | disclosed |
| EP-0513580-B1 | Alpha-phenyl-acrylic acid derivatives, process for their preparation and their use as parasiticides and fungicides | BASF AG (DE) | 1996-10-23 | — | — | EP | disclosed |
| US-5416068-A | Alpha-phenylacrylic acid derivatives, their preparation and their use for controlling pests and harmful fungi | BASF AKTIENGESELLSCHAFT (DE) | 1995-05-16 | — | — | US | disclosed |
| US-5298527-A | Insecticides | BASF AKTIENGESELLSCHAFT (DE) | 1994-03-29 | — | — | US | disclosed |
| EP-0513580-A2 | Alpha-phenyl-acrylic acid derivatives, process for their preparation and their use as parasiticides and fungicides | BASF Aktiengesellschaft (DE) | 1992-11-19 | — | — | EP | disclosed |