⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24371356 | 0.85 | — | — | |
| SCHEMBL24371960 | 0.76 | CYP3A4 (0.30) | — | |
| SCHEMBL24371968 | 0.75 | P2RY2 (0.31) | — | |
| SCHEMBL12031271 | 0.73 | DUT (0.36) | — | |
| SCHEMBL19881999 | 0.73 | DUT (0.36) | — | |
| SCHEMBL24371577 | 0.69 | P2RY14 (0.32) | — | |
| SCHEMBL24371615 | 0.65 | P2RY2 (0.44) | — | |
| SCHEMBL24372004 | 0.63 | DUT (0.35) | — | |
| SCHEMBL18661677 | 0.63 | DUT (0.35) | — | |
| SCHEMBL23790797 | 0.62 | PKM (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3043803-B1 | NUCLEOTIDE AND NUCLEOSIDE COMPOSITIONS AND THEIR USES | UNIV EMORY (US) | 2022-04-27 | — | — | EP | disclosed |