⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL135781 | 0.63 | — | — | |
| SCHEMBL167552 | 0.63 | — | — | |
| SCHEMBL115447 | 0.61 | CYP3A4 (0.33) | — | |
| SCHEMBL1618609 | 0.61 | — | — | |
| SCHEMBL623568 | 0.59 | — | — | |
| SCHEMBL185933 | 0.59 | — | — | |
| SCHEMBL3587331 | 0.59 | — | — | |
| SCHEMBL150811 | 0.58 | HTR6 (0.38) | — | |
| SCHEMBL1378978 | 0.58 | — | — | |
| SCHEMBL9619414 | 0.58 | CYP3A4 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6965039-B2 | 7-carboxy-flavone derivatives preparation method and therapeutic use | NEGMA-LERADS (FR) | 2005-11-15 | — | — | US | disclosed |
| US-20040059136-A1 | 7-carboxy-flavone derivatives preparation method and therapeutic use | NEGMA-LERADS (FR) | 2004-03-25 | — | — | US | disclosed |