⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29096739 | 0.73 | — | — | |
| Bromide SCHEMBL17747992 | 0.71 | HRH4 (1.00) | — | |
| SCHEMBL9191747 | 0.69 | — | — | |
| SCHEMBL14073918 | 0.69 | — | — | |
| Ethylisothiourea SCHEMBL160501 | 0.69 | — | — | |
| SCHEMBL9041760 | 0.69 | — | — | |
| Ethylisothiourea SCHEMBL2916536 | 0.67 | — | — | |
| SCHEMBL233483 | 0.67 | — | — | |
| Ethylisothiourea SCHEMBL6837679 | 0.67 | — | — | |
| SCHEMBL9193111 | 0.67 | CYP1A2 (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 2 patents. 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 |
| US-7323602-B2 | Preparation process of some halogeno-substituted monosulfides and their hydroxy-monosulfide or isothiouronium bromide equivalents as intermediates | ASTRAZENECA AB (SE) | 2008-01-29 | — | — | US | disclosed |