⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8514871 | 0.98 | — | — | |
| SCHEMBL2395180 | 0.87 | — | — | |
| SCHEMBL91887 | 0.84 | HDAC1 (0.30) | — | |
| SCHEMBL18747195 | 0.84 | — | — | |
| SCHEMBL12358129 | 0.83 | CES2 (0.32) | — | |
| SCHEMBL14366258 | 0.82 | ANPEP (0.33) | — | |
| SCHEMBL28508038 | 0.82 | — | — | |
| SCHEMBL9913188 | 0.82 | ALOX5AP (0.38) | — | |
| SCHEMBL12760431 | 0.82 | ALOX5AP (0.36) | — | |
| SCHEMBL24492676 | 0.80 | TRPV4 (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 |
|---|---|---|---|---|---|---|---|
| CN-112125788-B | Preparation method of liquid crystal monomer compound containing difluoromethyl ether bridge bond | 宁夏中星显示材料有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-112125788-A | Preparation method of liquid crystal monomer compound containing difluoromethyl ether bridge bond | 宁夏中星显示材料有限公司 | 2020-12-25 | — | — | CN | disclosed |