⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12209188 | 0.82 | KMT2A (0.35) | — | |
| SCHEMBL195356 | 0.76 | MAPK1 (0.37) | — | |
| SCHEMBL31670505 | 0.76 | ADORA3 (0.35) | — | |
| SCHEMBL31670521 | 0.74 | GLP1R (0.33) | — | |
| SCHEMBL2917889 | 0.73 | KMT2A (0.36) | — | |
| SCHEMBL8256742 | 0.72 | BRD4 (0.38) | — | |
| SCHEMBL4071388 | 0.72 | TDP1 (0.36) | — | |
| SCHEMBL19560056 | 0.70 | — | — | |
| SCHEMBL29489173 | 0.69 | JAK2 (0.42) | — | |
| SCHEMBL28472769 | 0.69 | JAK2 (0.42) | — |
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-2019115774-A1 | SUBSTITUTED AZETIDINE DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | LEO PHARMA A/S (DK) | 2019-06-20 | — | — | WO | disclosed |