⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27266037 | 0.79 | — | — | |
| SCHEMBL10998680 | 0.79 | — | — | |
| SCHEMBL8562622 | 0.79 | — | — | |
| SCHEMBL1934622 | 0.74 | HDAC2 (0.32) | — | |
| SCHEMBL969859 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL8209626 | 0.74 | AKT1 (0.33) | — | |
| SCHEMBL8546188 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL3939619 | 0.71 | — | — | |
| SCHEMBL8541103 | 0.71 | HPGD (0.42) | — | |
| SCHEMBL9673421 | 0.70 | S1PR1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003014121-A1 | COMPOUNDS, DERIVATIVES, COMPOSITIONS, PREPARATION AND USES | GUILFORD PHARMACEUTICALS INC. (US) | 2003-02-20 | — | — | WO | disclosed |
| WO-2002004562-A2 | FLUORESCEIN-BASED METAL SENSORS, AND METHODS OF MAKING AND USING THE SAME | MASSACHUSSETS INSTITUTE OF TECHNOLOGY (US) | 2002-01-17 | — | — | WO | disclosed |
| EP-0511246-A1 | WATER-SOLUBLE DYES WHICH REACT WITH FIBRES, PROCESS FOR PRODUCING THEM AND THEIR USE. | HOECHST AG (DE) | 1992-11-04 | — | — | EP | disclosed |
| US-4255273-A | COMPRISING A WATER-SOLUBLE PHOTOACTIVATOR AND A CATIONIC SUBSTANCE | THE PROCTER & GAMBLE COMPANY (US) | 1981-03-10 | — | — | US | disclosed |