⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2386059 | 1.00 | — | — | |
| SCHEMBL4479796 | 0.83 | — | — | |
| SCHEMBL22557903 | 0.83 | NAMPT (0.30) | — | |
| SCHEMBL145030 | 0.77 | — | — | |
| SCHEMBL138285 | 0.77 | — | — | |
| SCHEMBL140692 | 0.77 | — | — | |
| SCHEMBL143731 | 0.77 | — | — | |
| SCHEMBL18797777 | 0.77 | — | — | |
| SCHEMBL2387182 | 0.76 | PPM1D (0.34) | — | |
| SCHEMBL28037304 | 0.76 | PPM1D (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105037367-A | Amino six-membered ring derivative and application thereof in medicines | SICHUAN HAISCO PHARMACEUTICAL CO LTD | 2015-11-11 | — | — | CN | disclosed |