⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3020682 | 0.70 | — | — | |
| SCHEMBL11891519 | 0.55 | — | — | |
| SCHEMBL4547000 | 0.53 | NOS3 (0.30) | — | |
| SCHEMBL348388 | 0.51 | NOS3 (0.33) | — | |
| SCHEMBL348390 | 0.51 | NOS3 (0.33) | — | |
| SCHEMBL25150027 | 0.49 | — | — | |
| SCHEMBL7703054 | 0.46 | — | — | |
| SCHEMBL12855703 | 0.43 | — | — | |
| SCHEMBL2179725 | 0.43 | — | — | |
| SCHEMBL10050297 | 0.43 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3318565-A1 | PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES | Pfizer Inc (US) | 2018-05-09 | — | — | EP | disclosed |