⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14091342 | 0.64 | PDPK1 (0.36) | — | |
| SCHEMBL2346673 | 0.63 | — | — | |
| SCHEMBL8670138 | 0.60 | KDM4E (0.32) | — | |
| SCHEMBL4455585 | 0.60 | PDPK1 (0.31) | — | |
| SCHEMBL2977574 | 0.59 | — | — | |
| SCHEMBL2233666 | 0.59 | — | — | |
| SCHEMBL12050697 | 0.57 | LMNA (0.37) | — | |
| SCHEMBL28195767 | 0.57 | — | — | |
| SCHEMBL11778516 | 0.57 | PDPK1 (0.58) | — | |
| SCHEMBL1921176 | 0.56 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003051881-A1 | SUBSTITUTED PURINE NUCLEOSIDE LIBRARIES AND COMPOUNDS BY SOLID-PHASE COMBINATORIAL STRATEGIES | RIBAPHARM INC. (US) | 2003-06-26 | — | — | WO | claimed |
| WO-2003051881-A1 | SUBSTITUTED PURINE NUCLEOSIDE LIBRARIES AND COMPOUNDS BY SOLID-PHASE COMBINATORIAL STRATEGIES | RIBAPHARM INC. (US) | 2003-06-26 | — | — | WO | disclosed |