⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6585883 | 0.77 | CYP1A2 (0.31) | — | |
| SCHEMBL8060090 | 0.75 | — | — | |
| SCHEMBL6584940 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL22577414 | 0.62 | — | — | |
| SCHEMBL2442548 | 0.62 | LMNA (0.39) | — | |
| SCHEMBL20819800 | 0.60 | HTR2A (0.44) | — | |
| Hydrogen Peroxide SCHEMBL10659944 | 0.59 | — | — | |
| SCHEMBL2395404 | 0.59 | — | — | |
| SCHEMBL5187948 | 0.59 | — | — | |
| SCHEMBL2395399 | 0.59 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8026231-B2 | Aminothiolester compounds, pharmaceutical and cosmetic compositions containing same and uses thereof | CNRS (FR) | 2011-09-27 | — | — | US | disclosed |
| US-20070032476-A1 | Aminothiolester compounds, pharmaceutical and cosmetic compositions containing same and uses thereof | CNRS - CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2007-02-08 | — | — | US | disclosed |
| US-7078402-B2 | Aminothiol ester compounds, pharmaceutical and cosmetics compositions containing same and uses thereof | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2006-07-18 | — | — | US | disclosed |
| US-20030181443-A1 | Aminothiolester compounds, pharmaceutical and cosmetic compositions containing same and uses thereof | ADVANCED BIODESIGN (FR) | 2003-09-25 | — | — | US | disclosed |