⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18269908 | 0.81 | HDAC3 (0.34) | — | |
| SCHEMBL170558 | 0.80 | CYP1A2 (0.33) | — | |
| SCHEMBL22627480 | 0.80 | — | — | |
| SCHEMBL13218788 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL20886679 | 0.72 | HDAC3 (0.34) | — | |
| SCHEMBL13765702 | 0.71 | ACHE (0.30) | — | |
| SCHEMBL30876 | 0.70 | HDAC3 (0.35) | — | |
| SCHEMBL13760085 | 0.68 | PTGS2 (0.36) | — | |
| SCHEMBL16219536 | 0.68 | KDM4E (0.41) | — | |
| SCHEMBL13980077 | 0.66 | CYP3A4 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3739020-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2023-08-23 | — | — | EP | disclosed |
| EP-3543313-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2020-10-07 | — | — | EP | disclosed |
| EP-3543313-A1 | LIQUID-CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2019-09-25 | — | — | EP | disclosed |
| EP-3543314-A1 | LIQUID-CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2019-09-25 | — | — | EP | disclosed |