⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28114894 | 0.87 | — | — | |
| SCHEMBL9609302 | 0.80 | — | — | |
| SCHEMBL510219 | 0.76 | — | — | |
| SCHEMBL669753 | 0.73 | — | — | |
| SCHEMBL12501794 | 0.73 | — | — | |
| SCHEMBL268481 | 0.73 | — | — | |
| SCHEMBL1579443 | 0.72 | PIK3CD (0.36) | — | |
| Hydrochloric Acid SCHEMBL9109908 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL5206725 | 0.70 | — | — | |
| SCHEMBL27631402 | 0.70 | TRPV1 (0.32) | — |
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-20120040924-A1 | PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS | EMORY UNIVERSITY (US) | 2012-02-16 | — | — | US | disclosed |