⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19033346 | 0.73 | — | — | |
| SCHEMBL24972209 | 0.73 | ADH1B (0.32) | — | |
| SCHEMBL18880204 | 0.73 | TDP1 (0.39) | — | |
| SCHEMBL12719058 | 0.71 | — | — | |
| SCHEMBL91192 | 0.69 | — | — | |
| SCHEMBL27269326 | 0.69 | SIGMAR1 (0.33) | — | |
| SCHEMBL18850994 | 0.69 | — | — | |
| SCHEMBL16749650 | 0.67 | — | — | |
| SCHEMBL24389479 | 0.67 | ADH1B (0.33) | — | |
| SCHEMBL1960602 | 0.67 | ADH1B (0.33) | — |
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-A1 | LIQUID-CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2017-02-15 | — | — | EP | disclosed |