⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26357659 | 0.84 | CYP19A1 (0.35) | — | |
| SCHEMBL26370289 | 0.80 | CYP19A1 (0.33) | — | |
| SCHEMBL26357342 | 0.79 | APLNR (0.35) | — | |
| SCHEMBL24325931 | 0.78 | CYP19A1 (0.31) | — | |
| SCHEMBL26357392 | 0.75 | — | — | |
| SCHEMBL26357373 | 0.75 | CYP19A1 (0.44) | — | |
| SCHEMBL26357258 | 0.75 | CYP19A1 (0.47) | — | |
| SCHEMBL25392963 | 0.75 | — | — | |
| SCHEMBL26357404 | 0.75 | — | — | |
| SCHEMBL26357327 | 0.73 | CYP19A1 (0.50) | — |
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-20230303599-A1 | PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE | GILEAD SCIENCES, INC. | 2023-09-28 | — | — | US | disclosed |