⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9704713 | 0.77 | — | — | |
| SCHEMBL1414189 | 0.71 | SLC6A12 (0.36) | — | |
| SCHEMBL2645925 | 0.71 | — | — | |
| SCHEMBL2787642 | 0.70 | — | — | |
| SCHEMBL75987 | 0.70 | — | — | |
| SCHEMBL398149 | 0.70 | — | — | |
| SCHEMBL384800 | 0.70 | — | — | |
| SCHEMBL385765 | 0.70 | — | — | |
| SCHEMBL5098580 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL3165751 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100273802-A1 | NEW PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTI-PROLIFERATIVE PROPERTIES, AND THEIR BIOLOGICAL USES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIGUE (C.N.R.S.) | 2010-10-28 | — | — | US | claimed |
| US-20090030019-A1 | PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTI-PROLIFERATIVE PROPERTIES, AND THEIR BIOLOGICAL USES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIGUE (C.N.R.S.) | 2009-01-29 | — | — | US | claimed |