⚠ 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 | |
|---|---|---|---|---|
| Adenine SCHEMBL13992037 | 0.85 | PI4KA (0.36) | — | |
| Hypoxanthine SCHEMBL13868075 | 0.65 | — | — | |
| Adenine SCHEMBL3413247 | 0.62 | PI4KA (0.48) | — | |
| Adenine SCHEMBL8110 | 0.62 | PI4KA (0.48) | — | |
| Adenine SCHEMBL3414603 | 0.62 | PI4KA (0.48) | — | |
| Adenine SCHEMBL11798390 | 0.61 | PI4KA (0.50) | — | |
| Adenine SCHEMBL9214447 | 0.61 | PI4KA (0.47) | — | |
| Adenine SCHEMBL10868999 | 0.61 | PI4KA (0.47) | — | |
| Adenine SCHEMBL4595803 | 0.61 | PI4KA (0.47) | — | |
| Adenine SCHEMBL1370888 | 0.61 | PI4KA (0.47) | — |
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-7517990-B2 | Method for deuteration of a heterocyclic ring | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2009-04-14 | — | — | US | disclosed |
| US-20080318904-A1 | DEUTERIUM-ENRICHED TENOFOVIR | PROTIA, LLC (US) | 2008-12-25 | — | — | US | disclosed |