⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18321888 | 1.00 | — | — | |
| SCHEMBL22799002 | 1.00 | — | — | |
| SCHEMBL22799001 | 1.00 | — | — | |
| SCHEMBL22799003 | 1.00 | — | — | |
| SCHEMBL22584620 | 0.95 | — | — | |
| SCHEMBL22595059 | 0.95 | — | — | |
| SCHEMBL21287261 | 0.95 | — | — | |
| SCHEMBL20399759 | 0.95 | — | — | |
| SCHEMBL22055455 | 0.95 | — | — | |
| SCHEMBL22799094 | 0.95 | — | — |
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-11498930-B2 | Pyrimidine-fused cyclic compound, preparation method therefor and application thereof | Blueray Therapeutics (Shanghai) Co., Ltd (CN) | 2022-11-15 | — | — | US | disclosed |