⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12895584 | 0.93 | CHRNB2 (0.31) | — | |
| SCHEMBL14465424 | 0.88 | CHRNB2 (0.30) | — | |
| SCHEMBL12242667 | 0.87 | CHRNB2 (0.31) | — | |
| SCHEMBL13356711 | 0.82 | — | — | |
| SCHEMBL16248253 | 0.82 | CHRNB2 (0.30) | — | |
| SCHEMBL14465474 | 0.80 | — | — | |
| SCHEMBL13480387 | 0.80 | — | — | |
| SCHEMBL13784340 | 0.79 | CYP19A1 (0.32) | — | |
| SCHEMBL14344657 | 0.78 | — | — | |
| SCHEMBL20152491 | 0.78 | CYP19A1 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019025398-A1 | LIQUID-CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2019-02-07 | — | — | WO | disclosed |
| WO-2018073159-A2 | LIQUID-CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2018-04-26 | — | — | WO | disclosed |