⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17794410 | 0.99 | — | — | |
| SCHEMBL16844802 | 0.89 | — | — | |
| SCHEMBL15221197 | 0.88 | — | — | |
| SCHEMBL16789879 | 0.82 | — | — | |
| SCHEMBL14555144 | 0.80 | — | — | |
| SCHEMBL9972370 | 0.75 | — | — | |
| SCHEMBL15810577 | 0.74 | — | — | |
| SCHEMBL14555142 | 0.73 | — | — | |
| SCHEMBL17120518 | 0.73 | — | — | |
| SCHEMBL14407257 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017071793-A1 | LIQUID-CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2017-05-04 | — | — | WO | disclosed |
| WO-2015180830-A1 | LIQUID CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2015-12-03 | — | — | WO | disclosed |