⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29196029 | 0.87 | — | — | |
| SCHEMBL814919 | 0.82 | CYP3A4 (0.37) | — | |
| SCHEMBL3695633 | 0.78 | CYP3A4 (0.35) | — | |
| SCHEMBL3693275 | 0.78 | CYP3A4 (0.35) | — | |
| SCHEMBL395548 | 0.72 | CYP3A4 (0.35) | — | |
| SCHEMBL29597791 | 0.71 | CYP3A4 (0.30) | — | |
| SCHEMBL28040852 | 0.69 | CYP3A4 (0.33) | — | |
| SCHEMBL395719 | 0.69 | — | — | |
| SCHEMBL11220843 | 0.69 | RAPGEF4 (0.39) | — | |
| SCHEMBL9854240 | 0.69 | TDP2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6166072-A | Amino acid derivatives | ALLELIX NEUROSCIENCE, INC. (CA) | 2000-12-26 | — | — | US | disclosed |