⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15307859 | 0.71 | G6PD (0.44) | — | |
| SCHEMBL15307856 | 0.71 | G6PD (0.44) | — | |
| SCHEMBL14721148 | 0.56 | — | — | |
| SCHEMBL15308966 | 0.55 | LMNA (0.38) | — | |
| SCHEMBL10078990 | 0.54 | GPBAR1 (0.39) | — | |
| SCHEMBL10078996 | 0.54 | GPBAR1 (0.39) | — | |
| SCHEMBL10078992 | 0.54 | GPBAR1 (0.39) | — | |
| SCHEMBL15307854 | 0.54 | GPBAR1 (0.39) | — | |
| SCHEMBL1782331 | 0.52 | EPHX2 (0.41) | — | |
| SCHEMBL17048819 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012051988-A2 | DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC, ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION | JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) | 2012-04-26 | — | — | WO | disclosed |