⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25066083 | 0.75 | PIK3CD (0.30) | — | |
| SCHEMBL21142519 | 0.75 | PIK3CD (0.30) | — | |
| SCHEMBL14591931 | 0.75 | PIK3CD (0.30) | — | |
| SCHEMBL21897256 | 0.69 | — | — | |
| SCHEMBL18948161 | 0.60 | HTT (0.32) | — | |
| SCHEMBL21210716 | 0.59 | ALDH1A1 (0.32) | — | |
| SCHEMBL9980322 | 0.58 | — | — | |
| SCHEMBL14627069 | 0.58 | — | — | |
| SCHEMBL25896226 | 0.57 | TP53 (0.35) | — | |
| SCHEMBL25908208 | 0.57 | TP53 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230055237-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS | FLATLEY DISCOVERY LAB, LLC | 2023-02-23 | — | — | US | disclosed |