⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13862197 | 0.89 | ALDH1A1 (0.34) | — | |
| SCHEMBL11956950 | 0.87 | ALDH1A1 (0.30) | — | |
| SCHEMBL13862191 | 0.85 | — | — | |
| SCHEMBL13862195 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL11956460 | 0.77 | — | — | |
| SCHEMBL12957421 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL13862214 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL11956461 | 0.76 | METTL3 (0.34) | — | |
| SCHEMBL13862190 | 0.74 | CFD (0.35) | — | |
| SCHEMBL13862196 | 0.74 | ALDH1A1 (0.36) | — |
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-8232401-B2 | Useful as an anti-HIV agent that particularly shows an anti-HIV action based on an integrase inhibitory activity; for treatment or prophylaxis of AIDS; for example, 6-(2,3-dichlorobenzyl)-1-(2-hydroxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | JAPAN TOBACCO INC. (JP) | 2012-07-31 | — | — | US | disclosed |