⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12945953 | 0.76 | — | — | |
| Bromide SCHEMBL6856629 | 0.72 | CHRM2 (0.36) | — | |
| SCHEMBL9797818 | 0.63 | NOS2 (0.38) | — | |
| Bromide SCHEMBL6858666 | 0.61 | CHRM2 (0.34) | — | |
| SCHEMBL9797653 | 0.59 | NOS3 (0.40) | — | |
| SCHEMBL23399344 | 0.58 | ADORA2A (0.39) | — | |
| SCHEMBL294282 | 0.58 | — | — | |
| SCHEMBL9965045 | 0.56 | BCHE (0.49) | — | |
| SCHEMBL21945129 | 0.56 | KCNH2 (0.37) | — | |
| SCHEMBL3231706 | 0.56 | GBA1 (0.52) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080108630-A1 | SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION | METABOLEX INC. (US) | 2008-05-08 | — | — | US | disclosed |
| US-7323480-B2 | Substituted triazoles as modulators of PPAR and methods of their preparation | METABOLEX, INC. (US) | 2008-01-29 | — | — | US | disclosed |
| EP-1751120-A2 | SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION | METABOLEX, INC. (US) | 2007-02-14 | — | — | EP | disclosed |
| EP-1749000-A2 | BICYCLIC, SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION | METABOLEX, INC. (US) | 2007-02-07 | — | — | EP | disclosed |
| US-20060014809-A1 | Substituted triazoles as modulators of PPAR and methods of their preparation | METABOLEX, INC. (US) | 2006-01-19 | — | — | US | disclosed |
| US-20060014785-A1 | BICYCLIC, SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION | METABOLEX, INC. (US) | 2006-01-19 | — | — | US | disclosed |
| WO-2005115383-A2 | SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION | METABOLEX, INC. (US) | 2005-12-08 | — | — | WO | disclosed |
| WO-2005115384-A2 | BICYCLIC, SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION | METABOLEX, INC. (US) | 2005-12-08 | — | — | WO | disclosed |