⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL883390 | 0.89 | — | — | |
| SCHEMBL13671195 | 0.88 | — | — | |
| SCHEMBL13784386 | 0.86 | — | — | |
| SCHEMBL12656905 | 0.84 | — | — | |
| SCHEMBL9912626 | 0.84 | — | — | |
| SCHEMBL13671608 | 0.79 | — | — | |
| SCHEMBL12657200 | 0.79 | — | — | |
| SCHEMBL14393321 | 0.79 | — | — | |
| SCHEMBL883409 | 0.78 | — | — | |
| SCHEMBL9613639 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016177449-A1 | THIADIAZOLOQUINOXALINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2016-11-10 | — | — | WO | disclosed |
| WO-2012007096-A1 | LIQUID-CRYSTALLINE MEDIUM WITH STABILIZER | MERCK PATENT GMBH (DE) | 2012-01-19 | — | — | WO | disclosed |
| WO-2009129915-A1 | THIOPHENE DERIVATIVES, AND LC MEDIA CONTAINING THE SAME | MERCK PATENT GMBH (DE) | 2009-10-29 | — | — | WO | disclosed |
| WO-2007118623-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2007-10-25 | — | — | WO | disclosed |