⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11030374 | 0.92 | CYP11B1 (0.33) | — | |
| SCHEMBL11026578 | 0.92 | ALDH1A1 (0.31) | — | |
| SCHEMBL11026091 | 0.85 | — | — | |
| SCHEMBL11049372 | 0.82 | SLC29A1 (0.31) | — | |
| SCHEMBL10664690 | 0.81 | — | — | |
| SCHEMBL11023388 | 0.80 | CYP1A2 (0.38) | — | |
| SCHEMBL11048924 | 0.79 | NPC1 (0.32) | — | |
| SCHEMBL11026413 | 0.79 | SLC29A1 (0.41) | — | |
| SCHEMBL11023583 | 0.79 | SLC29A1 (0.41) | — | |
| SCHEMBL11027014 | 0.77 | TP53 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4478833-A | ANTICOAGULANTS | DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-10-23 | — | — | US | disclosed |
| EP-0055444-A2 | Trisubstituted pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1982-07-07 | — | — | EP | disclosed |