⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7986578 | 0.78 | — | — | |
| SCHEMBL6853725 | 0.78 | — | — | |
| SCHEMBL7969701 | 0.76 | — | — | |
| SCHEMBL2323945 | 0.76 | — | — | |
| SCHEMBL8665314 | 0.74 | — | — | |
| SCHEMBL538153 | 0.71 | — | — | |
| SCHEMBL28378760 | 0.69 | — | — | |
| SCHEMBL4728017 | 0.68 | ESR1 (0.36) | — | |
| SCHEMBL2307489 | 0.68 | ESR1 (0.36) | — | |
| SCHEMBL24573721 | 0.68 | — | — |
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 5 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 |
| US-20050033085-A1 | Preparation process of some halogeno-substituted monosulfides and their hydroxy-monosulfide of isothiouronium bromide equivalents as intermediates | ASTRAZENECA AB (SE) | 2005-02-10 | — | — | US | disclosed |
| EP-1436256-A1 | PREPARATION PROCESS OF SOME HALOGENO-SUBSTITUTED MONOSULFIDES AND THEIR HYDROXY-MONOSULFIDE OR ISOTHIOURONIUM BROMIDE EQUIVALENTS AS INTERMEDIATES | Astrazeneca AB (SE) | 2004-07-14 | — | — | EP | disclosed |
| WO-2003031399-A1 | PREPARATION PROCESS OF SOME HALOGENO-SUBSTITUTED MONOSULFIDES AND THEIR HYDROXY-MONOSULFIDE OR ISOTHIOURONIUM BROMIDE EQUIVALENTS AS INTERMEDIATES | ASTRAZENECA AB (SE) | 2003-04-17 | — | — | WO | disclosed |