⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19452172 | 0.78 | — | — | |
| SCHEMBL10264173 | 0.75 | — | — | |
| SCHEMBL14465180 | 0.75 | — | — | |
| SCHEMBL3422185 | 0.73 | — | — | |
| SCHEMBL26783490 | 0.72 | — | — | |
| SCHEMBL378960 | 0.71 | — | — | |
| SCHEMBL11995894 | 0.71 | — | — | |
| SCHEMBL11959481 | 0.71 | — | — | |
| SCHEMBL3141809 | 0.71 | — | — | |
| SCHEMBL16663582 | 0.70 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9441161-B2 | Liquid crystal compound, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2016-09-13 | — | — | US | disclosed |
| US-20160032187-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2016-02-04 | — | — | US | disclosed |
| EP-2919782-A1 | SECONDARY ALCOHOL SUBSITUTED TRIAZOLES AS PDE10 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-09-23 | — | — | EP | disclosed |
| EP-2782580-A1 | SELECTIVE KINASE INHIBITORS | Portola Pharmaceuticals, Inc. (US) | 2014-10-01 | — | — | EP | disclosed |
| WO-2014078220-A1 | SECONDARY ALCOHOL SUBSITUTED TRIAZOLES AS PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-05-22 | — | — | WO | disclosed |
| EP-2635556-A2 | BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS | Portola Pharmaceuticals, Inc. (US) | 2013-09-11 | — | — | EP | disclosed |
| WO-2013078468-A1 | SELECTIVE KINASE INHIBITORS | PORTOLA PHARMACEUTICALS, INC. (US) | 2013-05-30 | — | — | WO | disclosed |
| WO-2012061418-A2 | BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS | PORTOLA PHARMACEUTICALS, INC. (US) | 2012-05-10 | — | — | WO | disclosed |
| EP-2086995-A1 | HEPATITIS C VIRUS INHIBITORS | Brystol-Myers Squibb Company (US) | 2009-08-12 | — | — | EP | disclosed |
| WO-2008064066-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-05-29 | — | — | WO | disclosed |