⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5935763 | 0.76 | — | — | |
| SCHEMBL21990343 | 0.73 | — | — | |
| SCHEMBL3218251 | 0.73 | — | — | |
| SCHEMBL908316 | 0.73 | — | — | |
| Methylthiouracil SCHEMBL11433163 | 0.73 | — | — | |
| SCHEMBL24126879 | 0.73 | — | — | |
| SCHEMBL17278154 | 0.72 | SMN1; SMN2 (0.47) | — | |
| SCHEMBL8138380 | 0.70 | GAA (0.69) | — | |
| SCHEMBL732744 | 0.70 | SMN1; SMN2 (0.69) | — | |
| SCHEMBL803563 | 0.70 | PKM (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023156386-A2 | PHARMACEUTICAL COMPOUND | Duke Street Bio Limited (GB) | 2023-08-24 | — | — | WO | disclosed |
| CN-102781931-A | 5-alkynyl pyrimidines and their use as kinase inhibitors | BOEHRINGER INGELHEIM INT | 2012-11-14 | — | — | CN | disclosed |