⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21608653 | 0.92 | — | — | |
| SCHEMBL29332078 | 0.91 | — | — | |
| SCHEMBL29332075 | 0.85 | — | — | |
| SCHEMBL29332077 | 0.82 | TNF (0.30) | — | |
| SCHEMBL21608886 | 0.81 | — | — | |
| SCHEMBL21608680 | 0.81 | — | — | |
| SCHEMBL29332073 | 0.80 | — | — | |
| SCHEMBL29332074 | 0.80 | — | — | |
| SCHEMBL21608889 | 0.77 | — | — | |
| SCHEMBL29332080 | 0.76 | TNF (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019243216-A1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2019-12-26 | — | — | WO | disclosed |