⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27994147 | 0.67 | — | — | |
| SCHEMBL7003352 | 0.67 | — | — | |
| SCHEMBL894995 | 0.67 | — | — | |
| SCHEMBL492362 | 0.67 | — | — | |
| SCHEMBL27993891 | 0.67 | — | — | |
| SCHEMBL37780 | 0.67 | — | — | |
| SCHEMBL3389307 | 0.62 | — | — | |
| SCHEMBL18824413 | 0.62 | — | — | |
| SCHEMBL1207010 | 0.62 | — | — | |
| SCHEMBL9885977 | 0.59 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106588818-A | Medicine intermediate 2,6-difluoro-3-morpholinophenyl methylamine and preparation method thereof | 兰州大学 | 2017-04-26 | — | — | CN | claimed |
| CN-105283443-A | Heterocyclic derivatives and use thereof | C & C RES LAB | 2016-01-27 | — | — | CN | claimed |
| CN-106588818-A | Medicine intermediate 2,6-difluoro-3-morpholinophenyl methylamine and preparation method thereof | 兰州大学 | 2017-04-26 | — | — | CN | disclosed |
| CN-105283443-A | Heterocyclic derivatives and use thereof | C & C RES LAB | 2016-01-27 | — | — | CN | disclosed |