⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16303299 | 1.00 | — | — | |
| SCHEMBL13017827 | 1.00 | — | — | |
| SCHEMBL12166757 | 0.93 | GAA (0.34) | — | |
| SCHEMBL6909052 | 0.81 | — | — | |
| SCHEMBL13017851 | 0.79 | GAA (0.33) | — | |
| SCHEMBL6910262 | 0.74 | BCHE (0.36) | — | |
| SCHEMBL23671087 | 0.74 | ESR1 (0.32) | — | |
| SCHEMBL23670413 | 0.74 | ESR1 (0.32) | — | |
| SCHEMBL23670942 | 0.74 | ESR1 (0.32) | — | |
| SCHEMBL8204189 | 0.74 | ESR1 (0.32) | — |
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 |