⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8933927 | 0.81 | HPRT1 (0.44) | — | |
| SCHEMBL8934052 | 0.81 | HPRT1 (0.44) | — | |
| SCHEMBL8934194 | 0.67 | PNP (0.32) | — | |
| SCHEMBL8934206 | 0.67 | PNP (0.32) | — | |
| SCHEMBL9176450 | 0.64 | HDAC6 (0.46) | — | |
| SCHEMBL6397825 | 0.55 | NUDT1 (0.49) | — | |
| SCHEMBL6004458 | 0.48 | — | — | |
| SCHEMBL9254732 | 0.48 | MAPK1 (0.46) | — | |
| Phosphoric Acid SCHEMBL5961216 | 0.47 | LMNA (0.42) | — | |
| Methyl Phosphonate SCHEMBL2533588 | 0.47 | CA2 (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 |
|---|---|---|---|---|---|---|---|
| WO-1996009307-A1 | PURINE AND 8-AZAPURINE DERIVATIVES SUITABLE TO THE THERAPEUTIC TREATMENT OF AIDS | ISTITUTO SUPERIORE DI SANITA' (IT) | 1996-03-28 | — | — | WO | disclosed |