⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL75354 | 0.81 | — | — | |
| SCHEMBL76492 | 0.80 | — | — | |
| SCHEMBL74576 | 0.80 | ALDH1A1 (0.34) | — | |
| SCHEMBL76495 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL10299755 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL12216119 | 0.76 | — | — | |
| SCHEMBL12216115 | 0.76 | — | — | |
| SCHEMBL13645109 | 0.75 | ABCB11 (0.30) | — | |
| SCHEMBL13645101 | 0.75 | — | — | |
| SCHEMBL75355 | 0.72 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113993877-A | Novel carbonate compound having pyrrolopyrimidine skeleton or pharmaceutically acceptable salt thereof | 大鹏药品工业株式会社 | 2022-01-28 | — | — | CN | disclosed |