⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27277867 | 0.71 | — | — | |
| SCHEMBL8265754 | 0.61 | — | — | |
| SCHEMBL8242069 | 0.59 | — | — | |
| SCHEMBL15624291 | 0.57 | OPRD1 (0.30) | — | |
| SCHEMBL14047884 | 0.55 | HRH3 (0.30) | — | |
| SCHEMBL20780509 | 0.54 | — | — | |
| SCHEMBL14065182 | 0.52 | — | — | |
| SCHEMBL3628868 | 0.51 | — | — | |
| SCHEMBL799651 | 0.49 | HTR3E (0.59) | — | |
| SCHEMBL16275249 | 0.48 | NOS1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011030798-A1 | 8-OXODIHYDROPURINE DERIVATIVE | 大日本住友製薬株式会社 (JP) | 2011-03-17 | — | — | WO | disclosed |