⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3630104 | 0.64 | — | — | |
| SCHEMBL19836248 | 0.64 | — | — | |
| SCHEMBL14109141 | 0.62 | CYP1A2 (0.33) | — | |
| SCHEMBL14109352 | 0.62 | CYP1A2 (0.33) | — | |
| SCHEMBL10077139 | 0.62 | — | — | |
| SCHEMBL9963345 | 0.62 | CYP1A2 (0.36) | — | |
| SCHEMBL13319916 | 0.61 | NAALAD2 (0.44) | — | |
| SCHEMBL353803 | 0.60 | NAALAD2 (0.39) | — | |
| SCHEMBL16509726 | 0.59 | — | — | |
| SCHEMBL15542831 | 0.58 | CYP1A2 (0.49) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100105689-A1 | NOVEL 1,4- AND 1,5-DIARYLSUBSTITUTED 1,2,3-TRIAZOLES USEFUL AS POTASSIUM CHANNEL MODULATORS | NEUROSEARCH A/S (DK) | 2010-04-29 | — | — | US | disclosed |
| EP-2125790-A1 | NOVEL 1,4- AND 1,5-DIARYLSUBSTITUTED 1,2,3-TRIAZOLES USEFUL AS POTASSIUM CHANNEL MODULATORS | NeuroSearch A/S (DK) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008087178-A1 | NOVEL 1,4- AND 1,5-DIARYLSUBSTITUTED 1,2,3-TRIAZOLES USEFUL AS POTASSIUM CHANNEL MODULATORS | NEUROSEARCH A/S (DK) | 2008-07-24 | — | — | WO | disclosed |