⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1735817 | 0.76 | CSNK2A1 (0.33) | — | |
| SCHEMBL7885564 | 0.76 | — | — | |
| SCHEMBL9254239 | 0.72 | — | — | |
| Allopurinol SCHEMBL5550199 | 0.61 | — | — | |
| SCHEMBL10389953 | 0.58 | KDM4E (0.31) | — | |
| SCHEMBL15068258 | 0.57 | — | — | |
| SCHEMBL21621307 | 0.57 | — | — | |
| SCHEMBL2323688 | 0.56 | DPP4 (0.35) | — | |
| SCHEMBL1737055 | 0.56 | AXL (0.34) | — | |
| SCHEMBL1163994 | 0.55 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0576211-B1 | Process for the synthesis of 4-hydroxy-5-halopyrrolo 2,3-D pyrimidine intermediates | LILLY CO ELI (US) | 2001-08-22 | — | — | EP | disclosed |
| EP-0576211-A2 | Process for the synthesis of 4-hydroxy-5-halopyrrolo 2,3-D pyrimidine intermediates | ELI LILLY AND COMPANY (US) | 1993-12-29 | — | — | EP | disclosed |
| US-5235053-A | Process for the synthesis of 4-hydroxy-5-halopyrrold[2,3-d]pyrimidine intermediates | ELI LILLY AND COMPANY (US) | 1993-08-10 | — | — | US | disclosed |