⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15221214 | 0.95 | — | — | |
| SCHEMBL15250127 | 0.84 | MAPT (0.33) | — | |
| SCHEMBL18307208 | 0.83 | MAPT (0.36) | — | |
| SCHEMBL17305042 | 0.82 | — | — | |
| SCHEMBL19624396 | 0.82 | — | — | |
| SCHEMBL17081942 | 0.81 | — | — | |
| SCHEMBL15451575 | 0.79 | MAPT (0.31) | — | |
| SCHEMBL15250415 | 0.79 | PRKD3 (0.31) | — | |
| SCHEMBL17951922 | 0.78 | MAPT (0.31) | — | |
| SCHEMBL15451514 | 0.76 | MAPT (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2986689-B1 | DEVICE CONTAINING A LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2017-04-19 | — | — | EP | disclosed |
| EP-3103855-A1 | LIQUID-CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2016-12-14 | — | — | EP | disclosed |
| EP-3067406-A1 | LIQUID CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2016-09-14 | — | — | EP | disclosed |
| EP-2980062-A2 | POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS | Merck Patent GmbH (DE) | 2016-02-03 | — | — | EP | disclosed |
| EP-2686402-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2015-03-25 | — | — | EP | disclosed |
| EP-2818531-A1 | Polymerisable compounds and the use thereof in liquid-crystal displays | Merck Patent GmbH (DE) | 2014-12-31 | — | — | EP | disclosed |