⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3192537 | 0.96 | — | — | |
| SCHEMBL9166317 | 0.92 | — | — | |
| SCHEMBL27802542 | 0.88 | — | — | |
| SCHEMBL3851720 | 0.72 | — | — | |
| SCHEMBL27547718 | 0.72 | — | — | |
| Pyrophosphoric Acid SCHEMBL5081916 | 0.70 | FDPS (0.91) | — | |
| Pyrophosphoric Acid SCHEMBL7043687 | 0.70 | FDPS (0.91) | — | |
| Pyrophosphoric Acid SCHEMBL11799029 | 0.70 | FDPS (0.91) | — | |
| Pyrophosphoric Acid SCHEMBL4973920 | 0.70 | FDPS (0.91) | — | |
| Pyrophosphoric Acid SCHEMBL1354728 | 0.70 | FDPS (0.91) | — |
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-104910079-B | The method that toluene and derivative oxidation one kettle way prepare 4 (3H) Quinazol derivatives | 同济大学 | 2017-08-25 | — | — | CN | disclosed |