⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9881071 | 0.76 | HTT (0.34) | — | |
| SCHEMBL438929 | 0.72 | HTT (0.36) | — | |
| SCHEMBL13629740 | 0.71 | — | — | |
| SCHEMBL14113517 | 0.69 | CYP1A2 (0.33) | — | |
| SCHEMBL13817668 | 0.64 | HTT (0.34) | — | |
| SCHEMBL12086395 | 0.63 | — | — | |
| SCHEMBL13154099 | 0.62 | FKBP1A (0.36) | — | |
| SCHEMBL13893247 | 0.62 | ABCB1 (0.39) | — | |
| SCHEMBL25858064 | 0.60 | — | — | |
| SCHEMBL15187636 | 0.60 | CYP2D6 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090281330-A1 | Nitrons Carrying a Positive Charge and Usable in Trapping Free Radicals, Especially the Superoxide Radical | TORDO PAUL | 2009-11-12 | — | — | US | disclosed |
| US-20080009636-A1 | Nitrons carrying a positive charge and usable in trapping free radicals, especially the superoxide radical | UNIVERSITE D'AIX-MARSEILLE (FR) | 2008-01-10 | — | — | US | disclosed |