⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24639 | 0.76 | PI4KA (0.42) | — | |
| SCHEMBL15598533 | 0.76 | YTHDC1 (0.33) | — | |
| SCHEMBL3445227 | 0.74 | CHEK1 (0.37) | — | |
| SCHEMBL14270443 | 0.69 | FFAR2 (0.32) | — | |
| Mercaptopurine Anhydrous SCHEMBL8843 | 0.67 | PI4KA (0.33) | — | |
| Mercaptopurine Anhydrous SCHEMBL734087 | 0.65 | PI4KA (0.32) | — | |
| Tisopurine SCHEMBL93974 | 0.61 | XDH (0.61) | — | |
| Tisopurine SCHEMBL8628336 | 0.60 | XDH (0.59) | — | |
| SCHEMBL17546638 | 0.60 | CCR1 (0.40) | — | |
| SCHEMBL5394 | 0.60 | KDM4E (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030082101-A1 | Accelerators for increasing the rate of formation of free radicals and reactive oxygen species | CAVALIER DISCOVERY | 2003-05-01 | — | — | US | claimed |
| WO-2002100478-A9 | ACCELERATORS FOR INCREASING THE RATE OF FORMATION OF FREE RADICALS AND REACTIVE OXYGEN SPECIES | CAVALIER DISCOVERY (US) | 2003-03-27 | — | — | WO | claimed |
| US-20030082101-A1 | Accelerators for increasing the rate of formation of free radicals and reactive oxygen species | CAVALIER DISCOVERY | 2003-05-01 | — | — | US | disclosed |