⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL777793 | 0.72 | — | — | |
| SCHEMBL5908774 | 0.72 | CASP1 (0.39) | — | |
| SCHEMBL596379 | 0.69 | — | — | |
| SCHEMBL1052873 | 0.69 | — | — | |
| SCHEMBL5318107 | 0.69 | — | — | |
| SCHEMBL16931141 | 0.69 | — | — | |
| SCHEMBL5182212 | 0.69 | — | — | |
| Fluoride SCHEMBL17509880 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL26103597 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL10798173 | 0.69 | CASP1 (0.32) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110004003-A1 | Compound, Photochromic Material, Electronic Material, Compound Producing Method, 2,3-BIS(N,N-BIS(P-ANISYL)4-Minophenylethynyl)Dimethylfumarate Producing Method and 2,3-BIS(N,N-BIS(P-ANISYL)4-Aminophenylethynyl)Dimethylmaleate Producing method | THE UNIVERSITY OF TOKYO (JP) | 2011-01-06 | — | — | US | claimed |
| WO-2023210623-A1 | HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME | 株式会社エス・ディー・エス バイオテック | 2023-11-02 | — | — | WO | disclosed |
| US-20110004003-A1 | Compound, Photochromic Material, Electronic Material, Compound Producing Method, 2,3-BIS(N,N-BIS(P-ANISYL)4-Minophenylethynyl)Dimethylfumarate Producing Method and 2,3-BIS(N,N-BIS(P-ANISYL)4-Aminophenylethynyl)Dimethylmaleate Producing method | THE UNIVERSITY OF TOKYO (JP) | 2011-01-06 | — | — | US | disclosed |
| EP-0302626-A2 | Insecticidal compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-02-08 | — | — | EP | disclosed |
| US-4393070-A | HYPOTENSIVE, VASODILATION | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1983-07-12 | — | — | US | disclosed |
| US-4307103-A | TREATMENT OF HYPERTENSION AND CARDIOVASCULAR DISEASE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1981-12-22 | — | — | US | disclosed |