⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17355004 | 0.92 | CYP1A2 (0.33) | — | |
| SCHEMBL17620924 | 0.92 | — | — | |
| SCHEMBL17355024 | 0.91 | — | — | |
| SCHEMBL17620776 | 0.90 | — | — | |
| SCHEMBL17621177 | 0.90 | — | — | |
| SCHEMBL17355036 | 0.90 | — | — | |
| SCHEMBL17355017 | 0.89 | — | — | |
| SCHEMBL17355022 | 0.88 | — | — | |
| SCHEMBL17355040 | 0.87 | — | — | |
| SCHEMBL17355038 | 0.85 | — | — |
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-20180030350-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2018-02-01 | — | — | US | disclosed |
| US-20170044438-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2017-02-16 | — | — | US | disclosed |
| EP-2957618-A1 | LIQUID CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2015-12-23 | — | — | EP | disclosed |