⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16072369 | 0.82 | CYP1A2 (0.36) | — | |
| SCHEMBL16072137 | 0.82 | CYP1A2 (0.36) | — | |
| SCHEMBL10016259 | 0.81 | CYP1A2 (0.35) | — | |
| SCHEMBL16749935 | 0.81 | MAPT (0.42) | — | |
| SCHEMBL16312167 | 0.80 | MAPT (0.30) | — | |
| SCHEMBL14960606 | 0.80 | MAPT (0.30) | — | |
| SCHEMBL16749938 | 0.79 | — | — | |
| SCHEMBL16749937 | 0.78 | MAPT (0.31) | — | |
| SCHEMBL16071700 | 0.78 | — | — | |
| SCHEMBL17620922 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160152546-A1 | POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2016-06-02 | — | — | US | disclosed |
| US-20150267119-A1 | POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS | MERCK PATENT GMBH (DE) | 2015-09-24 | — | — | US | disclosed |
| US-20150036095-A1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2015-02-05 | — | — | US | disclosed |