⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28825978 | 0.64 | — | — | |
| SCHEMBL29114046 | 0.64 | — | — | |
| SCHEMBL30897410 | 0.64 | — | — | |
| SCHEMBL17258971 | 0.64 | — | — | |
| SCHEMBL5816421 | 0.64 | — | — | |
| SCHEMBL30205196 | 0.64 | — | — | |
| SCHEMBL31618969 | 0.60 | — | — | |
| SCHEMBL1579224 | 0.60 | — | — | |
| SCHEMBL28473531 | 0.60 | — | — | |
| SCHEMBL28738959 | 0.60 | — | — |
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-2024024646-A1 | METHOD FOR SEARCHING FOR TRANSPORT PROTEIN, AND USE THEREOF | 学校法人帝京大学 | 2024-02-01 | — | — | WO | disclosed |