⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9500898 | 0.76 | JAK2 (0.35) | — | |
| SCHEMBL6674432 | 0.64 | GDA (0.38) | — | |
| SCHEMBL20011085 | 0.64 | GDA (0.32) | — | |
| SCHEMBL20182463 | 0.62 | TNKS2 (0.32) | — | |
| SCHEMBL17704772 | 0.58 | — | — | |
| SCHEMBL21383159 | 0.57 | HPRT1 (0.48) | — | |
| SCHEMBL821227 | 0.57 | — | — | |
| SCHEMBL178985 | 0.56 | GAA (0.41) | — | |
| Propylene Oxide SCHEMBL11351469 | 0.55 | GSK3A (0.55) | — | |
| SCHEMBL13239508 | 0.54 | LMNA (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5270465-A | 4(3H)-pteridinone compounds | LIPHA, LYONNAISE INDUSTRILLE PHARMACEUTIQUE (FR) | 1993-12-14 | — | — | US | claimed |