⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2697903 | 0.73 | — | — | |
| SCHEMBL9999342 | 0.70 | — | — | |
| SCHEMBL1934464 | 0.68 | — | — | |
| SCHEMBL17372870 | 0.68 | — | — | |
| SCHEMBL6065638 | 0.68 | NFKB1 (0.38) | — | |
| SCHEMBL2361865 | 0.62 | — | — | |
| SCHEMBL5565075 | 0.62 | — | — | |
| SCHEMBL14559790 | 0.60 | — | — | |
| Acetic Acid SCHEMBL5604823 | 0.59 | FFAR3 (0.30) | — | |
| SCHEMBL10706676 | 0.58 | — | — |
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-20150031867-A1 | WATER-SOLUBLE FLUORESCENCE COMPOUND AND METHOD FOR PREPARING THE SAME | SNU R&DB FOUNDATION (KR) | 2015-01-29 | — | — | US | disclosed |