⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3296675 | 0.80 | — | — | |
| SCHEMBL1075728 | 0.78 | — | — | |
| SCHEMBL7517584 | 0.76 | CYP1A2 (0.30) | — | |
| SCHEMBL4439856 | 0.73 | NOS1 (0.33) | — | |
| SCHEMBL28710587 | 0.71 | GAA (0.46) | — | |
| SCHEMBL27904453 | 0.71 | CYP1A2 (0.45) | — | |
| SCHEMBL11789216 | 0.71 | — | — | |
| SCHEMBL29077024 | 0.70 | — | — | |
| SCHEMBL28169087 | 0.70 | CYP1A2 (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL1712930 | 0.69 | GRM2 (0.46) | — |
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-104645668-B | A kind of organic cage quartz capillary column of chirality porous splitting for optical isomer | YUNNAN NORMAL UNIVERSITY (CN) | 2016-05-25 | — | — | CN | claimed |
| CN-104645668-B | A kind of organic cage quartz capillary column of chirality porous splitting for optical isomer | YUNNAN NORMAL UNIVERSITY (CN) | 2016-05-25 | — | — | CN | disclosed |