⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18512972 | 0.78 | MRGPRX2 (0.31) | — | |
| SCHEMBL13480584 | 0.70 | — | — | |
| SCHEMBL12687028 | 0.67 | — | — | |
| SCHEMBL9977687 | 0.67 | — | — | |
| SCHEMBL15906665 | 0.66 | — | — | |
| SCHEMBL19597416 | 0.66 | — | — | |
| SCHEMBL805439 | 0.66 | — | — | |
| SCHEMBL14235695 | 0.66 | KCNA5 (0.30) | — | |
| SCHEMBL12601265 | 0.64 | — | — | |
| SCHEMBL12087615 | 0.63 | KCNA5 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017107567-A1 | METHOD FOR TREATING ATOPIC DERMATITIS | CHIANG BOR-LUEN (CN) | 2017-06-29 | — | — | WO | disclosed |