⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7523377 | 0.67 | MAOB (0.42) | — | |
| SCHEMBL7523379 | 0.67 | MAOB (0.42) | — | |
| SCHEMBL7518821 | 0.65 | PTGS1 (0.39) | — | |
| SCHEMBL7518829 | 0.65 | PTGS1 (0.39) | — | |
| SCHEMBL7520340 | 0.65 | MAOB (0.46) | — | |
| SCHEMBL16381965 | 0.64 | — | — | |
| SCHEMBL13459747 | 0.63 | — | — | |
| SCHEMBL1809246 | 0.62 | — | — | |
| SCHEMBL908245 | 0.62 | — | — | |
| SCHEMBL14791365 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0563328-A1 | ?99m Tc(III) MYOCARDIAL IMAGING AGENTS AND METHOD OF USE | MALLINCKRODT MEDICAL, INC. (US) | 1993-10-06 | — | — | EP | disclosed |
| WO-1992011040-A2 | 99mTc(III) MYOCARDIAL IMAGING AGENTS AND METHOD OF USE | MALLINCKRODT MEDICAL, INC. (US) | 1992-07-09 | — | — | WO | disclosed |