⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21351218 | 0.87 | — | — | |
| SCHEMBL21350745 | 0.76 | — | — | |
| SCHEMBL21351213 | 0.76 | — | — | |
| SCHEMBL18815973 | 0.74 | — | — | |
| SCHEMBL21351216 | 0.70 | — | — | |
| SCHEMBL21351078 | 0.69 | — | — | |
| SCHEMBL21351285 | 0.69 | — | — | |
| SCHEMBL21351214 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL24795609 | 0.68 | — | — | |
| SCHEMBL1106392 | 0.66 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024042008-A1 | POLYMERIZABLE LIQUID CRYSTAL MATERIAL AND POLYMERIZED LIQUID CRYSTAL FILM | MERCK PATENT GMBH (DE) | 2024-02-29 | — | — | WO | disclosed |
| US-11535589-B2 | Fluorinated tensides | MERCK PATENT GMBH (DE) | 2022-12-27 | — | — | US | disclosed |
| US-20190276397-A1 | FLUORINATED TENSIDES | MERCK PATENT GMBH (DE) | 2019-09-12 | — | — | US | disclosed |