⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4316592 | 0.75 | — | — | |
| SCHEMBL13559270 | 0.74 | — | — | |
| SCHEMBL5914620 | 0.71 | — | — | |
| SCHEMBL6845400 | 0.70 | — | — | |
| SCHEMBL1325957 | 0.70 | — | — | |
| SCHEMBL2554795 | 0.69 | HRH3 (0.40) | — | |
| SCHEMBL8149809 | 0.69 | — | — | |
| SCHEMBL7719791 | 0.67 | PTGS2 (0.35) | — | |
| SCHEMBL1681215 | 0.67 | HRH3 (0.43) | — | |
| SCHEMBL4434609 | 0.67 | BCHE (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104892540-B | Simple preparation method of naphthoxazine ketone derivative | 安徽工业大学 | 2017-02-01 | — | — | CN | disclosed |
| WO-2003055866-A1 | QUINAZOLINE AND QUINOLINE DERIVATIVE COMPOUNDS AS INHIBITORS OF PROLYLPEPTIDASE, INDUCERS OF APOPTOSIS AND CANCER TREATMENT AGENTS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-07-10 | — | — | WO | disclosed |
| US-6313100-B1 | ANTIBACTERIAL, ANTIPROTOZOA AGENTS | PFIZER INC | 2001-11-06 | — | — | US | disclosed |