⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL9723583 | 0.58 | — | — | |
| SCHEMBL249715 | 0.54 | — | — | |
| SCHEMBL27504298 | 0.52 | — | — | |
| SCHEMBL24186610 | 0.47 | ALDH1A1 (0.50) | — | |
| SCHEMBL7014344 | 0.46 | — | — | |
| SCHEMBL8619911 | 0.43 | — | — | |
| SCHEMBL17581119 | 0.43 | — | — | |
| SCHEMBL1566842 | 0.40 | — | — | |
| Ethane SCHEMBL21410134 | 0.40 | — | — | |
| Methyl Alcohol SCHEMBL21899428 | 0.38 | CYP3A4 (0.50) | — |
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-1716117-B1 | IONIC UV-A SUNSCREENS AND COMPOSITIONS CONTAINING THEM | DSM IP ASSETS BV (NL) | 2011-05-04 | — | — | EP | disclosed |