⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2058166 | 0.84 | TDP1 (0.38) | — | |
| SCHEMBL2058045 | 0.81 | TDP1 (0.35) | — | |
| SCHEMBL2058567 | 0.81 | TDP1 (0.35) | — | |
| SCHEMBL2058555 | 0.81 | TDP1 (0.35) | — | |
| SCHEMBL2058544 | 0.81 | TDP1 (0.35) | — | |
| SCHEMBL7056938 | 0.78 | — | — | |
| SCHEMBL2058366 | 0.77 | — | — | |
| SCHEMBL28238413 | 0.73 | LMNA (0.38) | — | |
| SCHEMBL8985688 | 0.73 | TDP1 (0.62) | — | |
| SCHEMBL27808173 | 0.71 | — | — |
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-1436256-B1 | PREPARATION PROCESS OF SOME HALOGENO-SUBSTITUTED MONOSULFIDES AND THEIR HYDROXY-MONOSULFIDE OR ISOTHIOURONIUM BROMIDE EQUIVALENTS AS INTERMEDIATES | ASTRAZENECA AB (SE) | 2011-08-10 | — | — | EP | disclosed |