⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19376421 | 0.81 | CYP1A2 (0.57) | — | |
| SCHEMBL11926 | 0.79 | — | — | |
| SCHEMBL11921 | 0.79 | — | — | |
| SCHEMBL60463 | 0.79 | — | — | |
| SCHEMBL23011616 | 0.77 | — | — | |
| SCHEMBL20878419 | 0.77 | CYP1A2 (0.53) | — | |
| SCHEMBL21591048 | 0.77 | — | — | |
| SCHEMBL21232427 | 0.77 | — | — | |
| SCHEMBL4420100 | 0.77 | — | — | |
| SCHEMBL236633 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1420021-A1 | DNA Methyltransferase inhibitors | The Penn State Research Foundation (US) | 2004-05-19 | — | — | EP | disclosed |
| WO-1996022297-A9 | NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS | — | 1996-10-03 | — | — | WO | disclosed |