⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3318602 | 0.81 | — | — | |
| SCHEMBL17693116 | 0.74 | — | — | |
| SCHEMBL18973930 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL18973994 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL2221213 | 0.71 | — | — | |
| SCHEMBL545075 | 0.71 | — | — | |
| SCHEMBL1490802 | 0.71 | — | — | |
| SCHEMBL6397074 | 0.71 | — | — | |
| SCHEMBL1819670 | 0.71 | — | — | |
| SCHEMBL1819653 | 0.71 | — | — |
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 |