⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5520335 | 0.79 | — | — | |
| SCHEMBL23937700 | 0.58 | — | — | |
| Allopurinol SCHEMBL5550199 | 0.58 | — | — | |
| SCHEMBL20630524 | 0.56 | FTO (0.37) | — | |
| SCHEMBL5511043 | 0.55 | — | — | |
| SCHEMBL9254230 | 0.54 | JAK3 (0.39) | — | |
| SCHEMBL21621307 | 0.54 | — | — | |
| SCHEMBL31568071 | 0.52 | PARP1 (0.40) | — | |
| SCHEMBL21621435 | 0.49 | — | — | |
| SCHEMBL15826767 | 0.49 | P2RX3 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5426187-A | Process for the preparation of 4-hydroxy-5-substituted ethynylpyrrolo [2,3-d]pyrimidine intermediates | ELI LILLY AND COMPANY (US) | 1995-06-20 | — | — | US | disclosed |