⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21019971 | 0.96 | — | — | |
| SCHEMBL19798704 | 0.91 | — | — | |
| SCHEMBL19799097 | 0.91 | — | — | |
| SCHEMBL21773352 | 0.89 | — | — | |
| SCHEMBL19798146 | 0.88 | — | — | |
| SCHEMBL21019726 | 0.86 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL21019429 | 0.86 | — | — | |
| SCHEMBL19798700 | 0.86 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL21594572 | 0.84 | ESR1 (0.32) | — | |
| SCHEMBL21019727 | 0.84 | RARB (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3487955-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2020-05-20 | — | — | EP | disclosed |
| WO-2018015320-A1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2018-01-25 | — | — | WO | disclosed |