⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL128731 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL6660600 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL181829 | 0.80 | — | — | |
| SCHEMBL17818541 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL9551513 | 0.79 | EPHX1 (0.37) | — | |
| SCHEMBL14697350 | 0.79 | EPHX1 (0.37) | — | |
| SCHEMBL29249261 | 0.79 | EPHX1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL1231795 | 0.77 | EPHX1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL9743322 | 0.77 | EPHX1 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL1779682 | 0.77 | EPHX1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2112204-A1 | Recording sheet for ink jet printing | ILFORD Imaging Switzerland GmbH (CH) | 2009-10-28 | — | — | EP | disclosed |