⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1587906 | 0.92 | — | — | |
| SCHEMBL28615998 | 0.69 | — | — | |
| SCHEMBL6363047 | 0.68 | — | — | |
| SCHEMBL17913079 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL11123501 | 0.61 | KMT2A (0.34) | — | |
| SCHEMBL1617400 | 0.60 | KDM1A (0.31) | — | |
| SCHEMBL1408600 | 0.60 | ALDH1A1 (0.33) | — | |
| SCHEMBL17400836 | 0.60 | NOS1 (0.33) | — | |
| SCHEMBL20374285 | 0.58 | OAT (0.42) | — | |
| SCHEMBL18145177 | 0.58 | ALDH1A1 (0.39) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7922934-B2 | s-Indacene and indeno[5,6-d][1,3]dioxol-derivatives and use thereof as components of liquid-crystal mixtures | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2011-04-12 | — | — | US | claimed |
| US-20100155662-A1 | S-INDACENE AND INDENO[5,6-D][1,3]DIOXOL-DERIVATIVES AND USE THEREOF AS COMPONENTS OF LIQUID-CRYSTAL MIXTURES | MERCK PATENT GESELLSCHAFT (DE) | 2010-06-24 | — | — | US | claimed |
| EP-1904470-B1 | S-INDACENE- AND INDENO[5,6-D][1,3]DIOXOL-DERIVATIVES AND USE THEREOF AS COMPONENTS OF LIQUID-CRYSTAL MIXTURES | MERCK PATENT GMBH (DE) | 2009-08-26 | — | — | EP | claimed |
| US-7922934-B2 | s-Indacene and indeno[5,6-d][1,3]dioxol-derivatives and use thereof as components of liquid-crystal mixtures | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2011-04-12 | — | — | US | disclosed |
| US-7922934-B2 | s-Indacene and indeno[5,6-d][1,3]dioxol-derivatives and use thereof as components of liquid-crystal mixtures | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2011-04-12 | — | — | US | disclosed |
| US-20100155662-A1 | S-INDACENE AND INDENO[5,6-D][1,3]DIOXOL-DERIVATIVES AND USE THEREOF AS COMPONENTS OF LIQUID-CRYSTAL MIXTURES | MERCK PATENT GESELLSCHAFT (DE) | 2010-06-24 | — | — | US | disclosed |
| US-20100155662-A1 | S-INDACENE AND INDENO[5,6-D][1,3]DIOXOL-DERIVATIVES AND USE THEREOF AS COMPONENTS OF LIQUID-CRYSTAL MIXTURES | MERCK PATENT GESELLSCHAFT (DE) | 2010-06-24 | — | — | US | disclosed |
| EP-1904470-B1 | S-INDACENE- AND INDENO[5,6-D][1,3]DIOXOL-DERIVATIVES AND USE THEREOF AS COMPONENTS OF LIQUID-CRYSTAL MIXTURES | MERCK PATENT GMBH (DE) | 2009-08-26 | — | — | EP | disclosed |
| EP-1904470-B1 | S-INDACENE- AND INDENO[5,6-D][1,3]DIOXOL-DERIVATIVES AND USE THEREOF AS COMPONENTS OF LIQUID-CRYSTAL MIXTURES | MERCK PATENT GMBH (DE) | 2009-08-26 | — | — | EP | disclosed |
| EP-1904470-A1 | S-INDACENE AND INDENOÝ5,6-D¨Ý1,3¨DIOXOL-DERIVATIVES AND USE THEREOF AS COMPONENTS OF LIQUID-CRYSTAL MIXTURES | Merck Patent GmbH (DE) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007009636-A1 | S-INDACENE AND INDENO[5,6-D][1,3]DIOXOL-DERIVATIVES AND USE THEREOF AS COMPONENTS OF LIQUID-CRYSTAL MIXTURES | MERCK PATENT GMBH (DE) | 2007-01-25 | — | — | WO | disclosed |