⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26039528 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL21972972 | 0.75 | MEN1 (0.40) | — | |
| SCHEMBL20829148 | 0.73 | CYP19A1 (0.40) | — | |
| SCHEMBL23097439 | 0.73 | — | — | |
| SCHEMBL20805991 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL21622409 | 0.73 | — | — | |
| SCHEMBL22212825 | 0.72 | KMT2A (0.40) | — | |
| SCHEMBL21973501 | 0.70 | IKBKB (0.33) | — | |
| SCHEMBL22296632 | 0.70 | L3MBTL1 (0.54) | — | |
| SCHEMBL21233511 | 0.69 | KDM1A (0.31) | — |
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-2021048092-A1 | LIQUID-CRYSTAL MEDIA AND PNLC LIGHT MODULATION ELEMENT | MERCK PATENT GMBH (DE) | 2021-03-18 | — | — | WO | disclosed |
| WO-2020115089-A1 | LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS | MERCK PATENT GMBH (DE) | 2020-06-11 | — | — | WO | disclosed |
| WO-2020115118-A1 | POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS | MERCK PATENT GMBH (DE) | 2020-06-11 | — | — | WO | disclosed |