⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4442463 | 0.95 | — | — | |
| SCHEMBL8165345 | 0.68 | ESR1 (0.39) | — | |
| SCHEMBL830377 | 0.67 | ALDH1A1 (1.00) | — | |
| SCHEMBL2239840 | 0.67 | — | — | |
| SCHEMBL2079062 | 0.67 | — | — | |
| SCHEMBL6604173 | 0.67 | — | — | |
| SCHEMBL9195922 | 0.65 | ALDH1A1 (0.67) | — | |
| SCHEMBL152347 | 0.64 | — | — | |
| SCHEMBL19429583 | 0.63 | — | — | |
| SCHEMBL14231153 | 0.63 | — | — |
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-0614378-A1 | TECHNETIUM-99 m COMPLEXES WITH N-SUBSTITUTED 3-HYDROXY-4-PYRIDINONES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-09-14 | — | — | EP | disclosed |
| US-5336482-A | Diagnostic scintigraphic imaging | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-08-09 | — | — | US | disclosed |
| WO-1993010822-A1 | TECHNETIUM-99 m COMPLEXES WITH N-SUBSTITUTED 3-HYDROXY-4-PYRIDINONES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-06-10 | — | — | WO | disclosed |