⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6130585 | 0.85 | — | — | |
| SCHEMBL317183 | 0.78 | — | — | |
| SCHEMBL21931937 | 0.76 | — | — | |
| SCHEMBL9116623 | 0.75 | — | — | |
| SCHEMBL17866497 | 0.69 | — | — | |
| SCHEMBL6266936 | 0.69 | — | — | |
| SCHEMBL10729773 | 0.65 | CA1 (0.32) | — | |
| SCHEMBL27493283 | 0.63 | — | — | |
| SCHEMBL3774695 | 0.63 | — | — | |
| SCHEMBL5700235 | 0.61 | — | — |
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-5773236-A | FLUORESCENT DYES FOR DETECTION OF ENZYMES FOR METABOLISM IN CELLS | MOLECULE PROBES, INC. (US) | 1998-06-30 | — | — | US | disclosed |