⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL127154 | 0.85 | NPC1 (0.31) | — | |
| SCHEMBL14948380 | 0.85 | NPC1 (0.31) | — | |
| SCHEMBL5607078 | 0.85 | NPC1 (0.31) | — | |
| SCHEMBL3807695 | 0.77 | NPC1 (0.31) | — | |
| SCHEMBL245064 | 0.76 | — | — | |
| SCHEMBL5391089 | 0.74 | NPC1 (0.30) | — | |
| SCHEMBL16418950 | 0.74 | NPC1 (0.34) | — | |
| SCHEMBL28579999 | 0.74 | NPC1 (0.30) | — | |
| SCHEMBL5873402 | 0.74 | — | — | |
| SCHEMBL13798621 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9082985-B2 | Arylsulfonic acid compound and use thereof as electron-acceptor material | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2015-07-14 | — | — | US | disclosed |
| US-20130240795-A1 | ARYLSULFONIC ACID COMPOUND AND USE THEREOF AS ELECTRON-ACCEPTOR MATERIAL | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2013-09-19 | — | — | US | disclosed |
| EP-2620427-A1 | Arylsulfonic Acid Compound And Use Thereof As Electron-Acceptor Material | Nissan Chemical Industries, Ltd. (JP) | 2013-07-31 | — | — | EP | disclosed |
| US-8460582-B2 | Arylsulfonic acid compound and use thereof as electron-acceptor material | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2013-06-11 | — | — | US | disclosed |
| US-20100320422-A1 | ARYLSULFONIC ACID COMPOUND AND USE THEREOF AS ELECTRON-ACCEPTOR MATERIAL | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2010-12-23 | — | — | US | disclosed |
| EP-2246325-A1 | ARYLSULFONIC ACID COMPOUND AND USE THEREOF AS ELECTRON-ACCEPTOR MATERIAL | Nissan Chemical Industries, Ltd. (JP) | 2010-11-03 | — | — | EP | disclosed |