⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1749620 | 0.77 | — | — | |
| SCHEMBL602412 | 0.76 | ADH1B (0.35) | — | |
| SCHEMBL25094499 | 0.70 | — | — | |
| SCHEMBL1750372 | 0.70 | — | — | |
| SCHEMBL25094939 | 0.70 | — | — | |
| SCHEMBL11057484 | 0.70 | — | — | |
| SCHEMBL29060072 | 0.69 | — | — | |
| SCHEMBL23762373 | 0.67 | ADH1B (0.33) | — | |
| SCHEMBL25094480 | 0.67 | — | — | |
| SCHEMBL14378849 | 0.67 | ADH1B (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106794181-A | MTH1 inhibitors for the treatment of inflammatory and autoimmune conditions | 托马斯·黑勒戴药物研究基金会 | 2017-05-31 | — | — | CN | disclosed |