⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11176674 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL9160128 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL9450404 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL297736 | 0.78 | AR (0.33) | — | |
| SCHEMBL3433891 | 0.76 | C5AR1 (0.31) | — | |
| SCHEMBL4014825 | 0.75 | CRHR1 (0.37) | — | |
| SCHEMBL4557934 | 0.74 | ALDH1A1 (0.46) | — | |
| SCHEMBL9442881 | 0.73 | — | — | |
| SCHEMBL297647 | 0.73 | CRHR1 (0.36) | — | |
| SCHEMBL9158117 | 0.73 | ALDH1A1 (0.48) | — |
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-5598005-A | Non-destructive method for determining the extent of cure of a polymerizing material and the solidification of a thermoplastic polymer based on wavelength shift of fluroescence | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE COMMERCE (US) | 1997-01-28 | — | — | US | claimed |
| US-5598005-A | Non-destructive method for determining the extent of cure of a polymerizing material and the solidification of a thermoplastic polymer based on wavelength shift of fluroescence | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE COMMERCE (US) | 1997-01-28 | — | — | US | disclosed |