⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4486896 | 0.75 | RAD52 (0.39) | — | |
| SCHEMBL356854 | 0.71 | DYRK1A (0.35) | — | |
| SCHEMBL3817086 | 0.64 | MTOR (0.33) | — | |
| SCHEMBL3389993 | 0.63 | CYP3A4 (0.48) | — | |
| SCHEMBL4503223 | 0.62 | MAPK10 (0.50) | — | |
| SCHEMBL1147248 | 0.61 | KDM4E (0.39) | — | |
| SCHEMBL3417389 | 0.60 | NPC1 (0.40) | — | |
| SCHEMBL249194 | 0.60 | DYRK1A (0.38) | — | |
| SCHEMBL30049919 | 0.59 | CYP19A1 (0.38) | — | |
| SCHEMBL17511862 | 0.59 | LMNA (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8093226-B2 | Cytostatic 7-deazapurine nucleosides | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ASCR, V.V.I. (CZ) | 2012-01-10 | — | — | US | disclosed |
| US-20090203637-A1 | NOVEL CYTOSTATIC 7-DEAZAPURINE NUCLEOSIDES | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ASCR, V.V.I. | 2009-08-13 | — | — | US | disclosed |