⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11224913 | 0.63 | — | — | |
| SCHEMBL5739382 | 0.59 | — | — | |
| SCHEMBL6444801 | 0.57 | — | — | |
| SCHEMBL8550988 | 0.57 | — | — | |
| SCHEMBL8172715 | 0.57 | — | — | |
| SCHEMBL15484139 | 0.54 | — | — | |
| SCHEMBL10523988 | 0.54 | — | — | |
| SCHEMBL6280462 | 0.48 | — | — | |
| SCHEMBL13236910 | 0.48 | — | — | |
| SCHEMBL13811300 | 0.47 | — | — |
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-114761389-B | Phospholipid-FLAVAGLINE conjugates and methods for their use in targeted cancer therapy | 塞勒科塔生物科学公司 | 2025-02-07 | — | — | CN | disclosed |