⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10906726 | 1.00 | — | — | |
| Methyl Phosphonate SCHEMBL28142890 | 0.83 | TSHR (0.37) | — | |
| SCHEMBL28003678 | 0.79 | TSHR (0.34) | — | |
| SCHEMBL10423757 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL9545538 | 0.75 | — | — | |
| SCHEMBL7485370 | 0.73 | — | — | |
| SCHEMBL7485368 | 0.73 | — | — | |
| SCHEMBL22821 | 0.72 | — | — | |
| SCHEMBL11241534 | 0.71 | — | — | |
| SCHEMBL11241541 | 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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110010968-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same | 三菱化学株式会社 | 2019-07-12 | — | — | CN | disclosed |
| CN-105576282-B | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same | 三菱化学株式会社 | 2018-11-06 | — | — | CN | disclosed |
| CN-104409766-B | NON-AQUEOUS ELECTROLYTIC SOLUTION, ELECTROCHEMICAL ELEMENT USING SAME, AND ALKYNYL COMPOUND USED THEREFOR | 宇部兴产株式会社 | 2017-04-12 | — | — | CN | disclosed |
| CN-102696142-B | Nonaqueous electrolyte solution, electrochemical device using same, and alkynyl compound used in nonaqueous electrolyte solution | UBE INDUSTRIES | 2015-06-03 | — | — | CN | disclosed |
| CN-104409766-A | NON-AQUEOUS ELECTROLYTIC SOLUTION, ELECTROCHEMICAL ELEMENT USING SAME, AND ALKYNYL COMPOUND USED THEREFOR | UBE INDUSTRIES | 2015-03-11 | — | — | CN | disclosed |
| EP-0844993-B1 | PESTICIDAL INDAZOLE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2007-09-26 | — | — | EP | disclosed |
| US-20040039220-A1 | Process for the preparation of pesticides | FAROOQ SALEEM (CH) | 2004-02-26 | — | — | US | disclosed |
| US-20040023806-A1 | N-phenylcarbamates having a microbicide insecticide and acaricide effect | BAYER AKTIENGESELLSCHAFT (DE) | 2004-02-05 | — | — | US | disclosed |
| EP-1175394-B1 | N-ALKOXY-N-PHENYLCARBAMATE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2004-01-02 | — | — | EP | disclosed |
| US-6646151-B1 | Efficient oximation | BAYER AKTIENGESELLSCHAFT (DE) | 2003-11-11 | — | — | US | disclosed |
| US-5298527-A | Insecticides | BASF AKTIENGESELLSCHAFT (DE) | 1994-03-29 | — | — | US | disclosed |
| US-5039674-A | Calcium antagonistics | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1991-08-13 | — | — | US | disclosed |
| US-4782160-A | CALCIUM RECEPTOR ANTAGONISTS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1988-11-01 | — | — | US | disclosed |
| EP-0276552-A1 | 1,4-dihydropyridine derivatives and their production | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1988-08-03 | — | — | EP | disclosed |
| US-4588832-A | Method for the preparation of a 1-alkynylsilyl compound | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1986-05-13 | — | — | US | disclosed |
| US-4094896-A | HYPOTENSIVE AGENTS, BACTERICIDES AND FUNGICIDES | AMERICAN CYANAMID COMPANY (US) | 1978-06-13 | — | — | US | disclosed |
| US-4054604-A | MICROBIOCIDES, HYPOTENSIVE AGENTS | AMERICAN CYANAMID COMPANY (US) | 1977-10-18 | — | — | US | disclosed |
| US-4044043-A | HYPERTENSIVE AGENTS, MICROBIOCIDES | AMERICAN CYANAMID COMPANY (US) | 1977-08-23 | — | — | US | disclosed |
| US-4006179-A | HYPOTENSIVE AGENTS, MICROBIOCIDES | AMERICAN CYANAMID COMPANY (US) | 1977-02-01 | — | — | US | disclosed |
| US-3981868-A | MICROBIOCIDES, HYPOTENSIVE AGENTS | AMERICAN CYANAMID COMPANY (US) | 1976-09-21 | — | — | US | disclosed |