⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9607915 | 0.93 | — | — | |
| SCHEMBL15692162 | 0.91 | — | — | |
| SCHEMBL13464007 | 0.91 | — | — | |
| SCHEMBL9613615 | 0.90 | — | — | |
| SCHEMBL18973396 | 0.89 | TLR4 (0.31) | — | |
| SCHEMBL12531091 | 0.88 | TRPA1 (0.31) | — | |
| SCHEMBL14143410 | 0.88 | TRPA1 (0.31) | — | |
| SCHEMBL16855420 | 0.86 | TRPA1 (0.30) | — | |
| SCHEMBL17917635 | 0.86 | TRPA1 (0.32) | — | |
| SCHEMBL14867225 | 0.85 | CYP1A2 (0.35) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1618101-B1 | BENZOCHROMENE DERIVATIVES | MERCK PATENT GMBH (DE) | 2017-12-20 | — | — | EP | disclosed |
| EP-1963300-B1 | BENZOCHROMENE DERIVATIVES FOR USE IN LIQUID CRYSTAL MEDIA AND AS THERAPEUTIC ACTIVE SUBSTANCES | MERCK PATENT GMBH (DE) | 2012-08-22 | — | — | EP | disclosed |
| EP-2457975-A2 | Liquid-crystalline mixtures | Merck Patent GmbH (DE) | 2012-05-30 | — | — | EP | disclosed |
| EP-2399972-A2 | Liquid-crystalline medium and liquid-crystal display having high twist | Merck Patent GmbH (DE) | 2011-12-28 | — | — | EP | disclosed |
| EP-1930396-B1 | Furochroman derivatives | MERCK PATENT GMBH (DE) | 2011-07-06 | — | — | EP | disclosed |
| EP-2258695-A2 | Chroman derivatives and use thereof in liquid crystal media | Merck Patent GmbH (DE) | 2010-12-08 | — | — | EP | disclosed |
| EP-1935960-B1 | Liquid crystalline medium and liquid crystal display | MERCK PATENT GMBH (DE) | 2010-11-03 | — | — | EP | disclosed |
| EP-1925653-B1 | Liquid crystalline medium and liquid crystal display | MERCK PATENT GMBH (DE) | 2010-02-24 | — | — | EP | disclosed |
| WO-2009156118-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2009-12-30 | — | — | WO | 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-1549599-B1 | CHIRAL PHENOL DERIVATIVE, LIQUID CRYSTAL MEDIUM CONTAINING SAID CHIRAL PHENOL DERIVATIVE | MERCK PATENT GMBH (DE) | 2009-07-08 | — | — | EP | disclosed |
| EP-1373175-B1 | 2,4'-SUBSTITUTED 6-CYCLOHEXYL-TRANS-DECALINES | MERCK PATENT GMBH (DE) | 2009-07-08 | — | — | EP | disclosed |
| US-7517471-B2 | And benzo[1,2-b:3,4-b']difuran derivatives; liquid crystal media, electrooptical displays; negative Delta epsilon, vertically alligned thin film transistors | MERCK PATENT GMBH (DE) | 2009-04-14 | — | — | US | disclosed |
| EP-1341871-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2008-10-29 | — | — | EP | disclosed |
| EP-1930396-A1 | Furochroman derivatives | MERCK PATENT GmbH (DE) | 2008-06-11 | — | — | EP | disclosed |
| WO-2008009398-A1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2008-01-24 | — | — | WO | disclosed |
| US-20070228328-A1 | As-Indacen Derivatives | MERCK PATENT GMBH (DE) | 2007-10-04 | — | — | US | disclosed |