⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL883744 | 0.91 | — | — | |
| SCHEMBL17805320 | 0.84 | — | — | |
| SCHEMBL13465042 | 0.83 | — | — | |
| SCHEMBL12386473 | 0.83 | — | — | |
| SCHEMBL13068556 | 0.83 | — | — | |
| SCHEMBL12333587 | 0.82 | — | — | |
| SCHEMBL10313502 | 0.81 | — | — | |
| SCHEMBL883347 | 0.81 | — | — | |
| SCHEMBL12213683 | 0.81 | — | — | |
| SCHEMBL9979747 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3130650-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2018-07-04 | — | — | EP | disclosed |