⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4289402 | 0.78 | RXRA (0.32) | — | |
| SCHEMBL3240285 | 0.68 | RXRB (0.43) | — | |
| SCHEMBL3247216 | 0.68 | PTPN1 (0.38) | — | |
| SCHEMBL3240684 | 0.66 | CRHBP (0.45) | — | |
| SCHEMBL8006778 | 0.65 | MAOB (0.46) | — | |
| SCHEMBL3244165 | 0.65 | KDM4E (0.37) | — | |
| SCHEMBL8048966 | 0.65 | ALDH1A1 (0.41) | — | |
| SCHEMBL3232605 | 0.63 | ALDH1A1 (0.34) | — | |
| SCHEMBL3240204 | 0.61 | NPC1 (0.39) | — | |
| SCHEMBL3240333 | 0.61 | MCL1 (0.35) | — |
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-20090264433-A1 | Compounds, Compositions and Methods Comprising Triazine Derivatives | INSTITUTE FOR ONEWORLD HEALTH | 2009-10-22 | — | — | US | disclosed |