⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21394691 | 0.70 | — | — | |
| SCHEMBL27360136 | 0.69 | — | — | |
| SCHEMBL13178469 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL14366028 | 0.67 | — | — | |
| SCHEMBL9062759 | 0.66 | — | — | |
| SCHEMBL31166684 | 0.65 | KDM4C (0.32) | — | |
| SCHEMBL24759321 | 0.65 | — | — | |
| SCHEMBL21153696 | 0.64 | CNR2 (0.30) | — | |
| SCHEMBL12569702 | 0.64 | — | — | |
| SCHEMBL1134031 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3472134-B1 | PROCESS FOR PREPARING COMPOUNDS USEFUL AS INTERMEDIATES FOR THE PREPARATION OF RALTEGRAVIR | PHARMATHEN SA (GR) | 2021-10-20 | — | — | EP | disclosed |