⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37113 | 0.97 | — | — | |
| SCHEMBL19665093 | 0.88 | ALDH1A1 (0.48) | — | |
| Pyrrole SCHEMBL28907564 | 0.84 | ALDH1A1 (0.45) | — | |
| SCHEMBL11800111 | 0.83 | ALDH1A1 (0.43) | — | |
| SCHEMBL467889 | 0.77 | — | — | |
| SCHEMBL2789580 | 0.75 | ALDH1A1 (0.62) | — | |
| SCHEMBL490330 | 0.75 | ALDH1A1 (0.62) | — | |
| SCHEMBL641747 | 0.75 | ALDH1A1 (0.62) | — | |
| SCHEMBL9454445 | 0.73 | — | — | |
| Furfural SCHEMBL11761016 | 0.73 | ALDH1A1 (0.82) | — |
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-5403688-A | Measuring spectral absorbance of nondispersed and dispersed coatings at varying wavelengths and calculating ratios (to stop when predetermined value is reached) | FUJI XEROX CO., LTD. (JP) | 1995-04-04 | — | — | US | disclosed |