⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27438483 | 0.75 | — | — | |
| SCHEMBL925991 | 0.73 | — | — | |
| SCHEMBL28218304 | 0.71 | — | — | |
| SCHEMBL19293067 | 0.65 | CYP2C19 (0.37) | — | |
| SCHEMBL16256528 | 0.63 | DRD2 (0.36) | — | |
| SCHEMBL22299487 | 0.63 | PRMT3 (0.42) | — | |
| SCHEMBL2374634 | 0.62 | — | — | |
| SCHEMBL27514574 | 0.61 | ARG1 (0.31) | — | |
| SCHEMBL911344 | 0.61 | ALOX15 (0.41) | — | |
| SCHEMBL20609970 | 0.60 | TSHR (0.46) | — |
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-2023235464-A1 | NOVEL EQUILIBRATIVE NUCLEOSIDE TRANSPORTER INHIBITORS AND METHODS OF MAKING AND USING SAME | DUKE UNIVERSITY (US) | 2023-12-07 | — | — | WO | disclosed |