⚠ 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 | |
|---|---|---|---|---|
| Hypoxanthine SCHEMBL30266940 | 0.65 | TSHR (0.45) | — | |
| Hypoxanthine SCHEMBL29533161 | 0.61 | TSHR (0.41) | — | |
| SCHEMBL5526644 | 0.57 | ALDH1A1 (0.40) | — | |
| SCHEMBL29390072 | 0.52 | MAPK1 (0.37) | — | |
| SCHEMBL21440777 | 0.50 | ALDH1A1 (0.54) | — | |
| SCHEMBL31340087 | 0.49 | — | — | |
| SCHEMBL31423453 | 0.48 | — | — | |
| SCHEMBL554700 | 0.45 | — | — | |
| SCHEMBL340668 | 0.43 | GDA (0.44) | — | |
| SCHEMBL2927541 | 0.40 | — | — |
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-7517990-B2 | Method for deuteration of a heterocyclic ring | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2009-04-14 | — | — | US | disclosed |