⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27038548 | 0.79 | GRM2 (0.41) | — | |
| SCHEMBL30157114 | 0.75 | KDM4E (0.48) | — | |
| SCHEMBL26389404 | 0.75 | — | — | |
| SCHEMBL21587664 | 0.75 | MAPK1 (0.46) | — | |
| SCHEMBL26319271 | 0.72 | MAPK1 (0.33) | — | |
| SCHEMBL28896558 | 0.72 | — | — | |
| SCHEMBL26319273 | 0.72 | KCNH2 (0.31) | — | |
| SCHEMBL24484531 | 0.72 | TGFBR1 (0.31) | — | |
| SCHEMBL24526832 | 0.71 | — | — | |
| SCHEMBL24650682 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230167133-A1 | 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF | VICKERS VENTURE FUND VI PTE. LTD. (SG) | 2023-06-01 | — | — | US | disclosed |