⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15015909 | 0.70 | — | — | |
| SCHEMBL11132776 | 0.69 | LCK (0.30) | — | |
| SCHEMBL23716689 | 0.67 | — | — | |
| SCHEMBL8990584 | 0.67 | LCK (0.33) | — | |
| SCHEMBL13679094 | 0.65 | KCNH2 (0.33) | — | |
| SCHEMBL3871104 | 0.65 | ALDH1A1 (0.37) | — | |
| SCHEMBL19218140 | 0.65 | LCK (0.31) | — | |
| SCHEMBL1062510 | 0.64 | LCK (0.48) | — | |
| SCHEMBL33394 | 0.64 | LCK (0.48) | — | |
| SCHEMBL21791823 | 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-0840727-B1 | 3-HYDROXY-2(1H)-PYRIDINONE CHELATING AGENTS | UNIV CALIFORNIA (US) | 2004-05-06 | — | — | EP | disclosed |
| US-5892029-A | HIGHLY EFFECTIVE UPON BOTH INJECTION AND ORAL ADMINISTRATION. | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1999-04-06 | — | — | US | disclosed |
| US-5624901-A | CARBAMOYL SUBSTITUTED COMPOUNDS FOR CHELATE COMPOUNDS FOR MAGNETIC RESONANCE IMAGING | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1997-04-29 | — | — | US | disclosed |