⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26476802 | 0.91 | EPHX1 (0.36) | — | |
| SCHEMBL14543189 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL24268011 | 0.81 | — | — | |
| SCHEMBL18746893 | 0.81 | — | — | |
| SCHEMBL8122880 | 0.79 | — | — | |
| SCHEMBL23969483 | 0.77 | HTR1A (0.30) | — | |
| SCHEMBL13639072 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL24268071 | 0.74 | — | — | |
| SCHEMBL2721073 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL7857981 | 0.74 | TSHR (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3567029-A1 | COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS | Lantheus Medical Imaging, Inc. (US) | 2019-11-13 | — | — | EP | disclosed |