⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1100495 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL14976757 | 0.97 | DNM1 (0.38) | — | |
| SCHEMBL4208577 | 0.92 | — | — | |
| SCHEMBL13354479 | 0.90 | DNM1 (0.43) | — | |
| SCHEMBL9319909 | 0.90 | DNM1 (0.43) | — | |
| SCHEMBL14286699 | 0.90 | DNM1 (0.43) | — | |
| SCHEMBL28305965 | 0.90 | DNM1 (0.43) | — | |
| SCHEMBL13528424 | 0.82 | — | — | |
| SCHEMBL19090256 | 0.82 | — | — | |
| SCHEMBL22527 | 0.82 | — | — |
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-3783001-A1 | SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS | Gilead Sciences, Inc. (US) | 2021-02-24 | — | — | EP | disclosed |