⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18970153 | 0.79 | — | — | |
| SCHEMBL21626861 | 0.79 | — | — | |
| SCHEMBL19063103 | 0.73 | — | — | |
| SCHEMBL17589919 | 0.70 | — | — | |
| SCHEMBL21088341 | 0.70 | — | — | |
| SCHEMBL13178357 | 0.70 | — | — | |
| SCHEMBL20976411 | 0.70 | — | — | |
| SCHEMBL21417171 | 0.70 | — | — | |
| SCHEMBL19252632 | 0.70 | — | — | |
| SCHEMBL19252673 | 0.70 | — | — |
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-3882250-B1 | TETRAHYDROPYRANYL AMINO-PYRROLOPYRIMIDINONE FOR USE IN TREATING BTK-MEDIATED DISORDERS | ARQULE INC (US) | 2023-02-15 | — | — | EP | disclosed |
| WO-2020033955-A1 | PYRROLOPYRIMIDINE ITK INHIBITORS | ACLARIS THERAPEUTICS, INC. (US) | 2020-02-13 | — | — | WO | disclosed |