⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11250214 | 0.78 | — | — | |
| SCHEMBL4301372 | 0.74 | — | — | |
| SCHEMBL726430 | 0.64 | — | — | |
| SCHEMBL17738838 | 0.64 | — | — | |
| SCHEMBL82877 | 0.64 | — | — | |
| SCHEMBL937931 | 0.62 | — | — | |
| SCHEMBL771021 | 0.62 | NFKB1 (0.43) | — | |
| SCHEMBL238918 | 0.62 | NFKB1 (0.43) | — | |
| Butylamine SCHEMBL11796379 | 0.61 | — | — | |
| SCHEMBL5597473 | 0.61 | — | — |
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-2409693-A2 | Isothiocyanates and derivatives for use in the treatment and / or prevention of polymorphous light eruptions | Auriga International (BE) | 2012-01-25 | — | — | EP | disclosed |