⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1861648 | 0.80 | — | — | |
| SCHEMBL1198830 | 0.78 | — | — | |
| SCHEMBL6760698 | 0.77 | — | — | |
| SCHEMBL13330942 | 0.75 | MAPK1 (0.41) | — | |
| SCHEMBL17480641 | 0.75 | PTPRB (0.30) | — | |
| SCHEMBL820981 | 0.75 | — | — | |
| SCHEMBL20092593 | 0.75 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL6888459 | 0.73 | — | — | |
| SCHEMBL17687738 | 0.73 | — | — | |
| SCHEMBL6886042 | 0.73 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040019219-A1 | N-alkylated thiazolium salts and process for their preparation | LANXESS DEUTSCHLAND GMBH (DE) | 2004-01-29 | — | — | US | claimed |
| EP-1371651-A2 | N-alkylated Thiazoliumsalts and processes for their preparation | BAYER AG (DE) | 2003-12-17 | — | — | EP | claimed |
| US-20180036287-A1 | BENZOTHIAZOLE AND BENZOTHIOPHENE COMPOUNDS | UNIVERSITE DE MONTREAL (CA) | 2018-02-08 | — | — | US | disclosed |
| US-20110312990-A1 | Diamine Derivatives | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-12-22 | — | — | US | disclosed |
| US-20110077266-A1 | Diamine Derivatives | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-03-31 | — | — | US | disclosed |
| US-20040019219-A1 | N-alkylated thiazolium salts and process for their preparation | LANXESS DEUTSCHLAND GMBH (DE) | 2004-01-29 | — | — | US | disclosed |
| EP-1371651-A2 | N-alkylated Thiazoliumsalts and processes for their preparation | BAYER AG (DE) | 2003-12-17 | — | — | EP | disclosed |