⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL147188 | 0.87 | FTO (0.33) | — | |
| SCHEMBL3980901 | 0.70 | — | — | |
| SCHEMBL332302 | 0.65 | FTO (0.36) | — | |
| SCHEMBL4295455 | 0.64 | — | — | |
| SCHEMBL530116 | 0.64 | FTO (0.36) | — | |
| SCHEMBL5269025 | 0.63 | ALDH1A1 (0.40) | — | |
| SCHEMBL3656489 | 0.63 | FTO (0.44) | — | |
| Bromide SCHEMBL23115511 | 0.62 | FTO (0.43) | — | |
| SCHEMBL408340 | 0.61 | MAPT (0.64) | — | |
| SCHEMBL7959704 | 0.61 | FTO (0.38) | — |
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-6229055-B1 | SYNTHESIS OF FLUORINATED RESORCINOL WHICH IS USEFUL IN THE PREPARATION OF FLUORINATED FLUORESCEIN AND RHODOL DYES SUITABLE FOR USE AS TRACERS, LABELS, OR INTERMEDIATES | MOLECULAR PROBES, INC. | 2001-05-08 | — | — | US | disclosed |
| US-6162931-A | Fluorinated xanthene derivatives | MOLECULAR PROBES, INC. (US) | 2000-12-19 | — | — | US | disclosed |