⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24630011 | 0.71 | GAA (0.30) | — | |
| SCHEMBL18435121 | 0.67 | — | — | |
| SCHEMBL21189785 | 0.64 | CES2 (0.30) | — | |
| SCHEMBL21474350 | 0.64 | KDM1A (0.31) | — | |
| SCHEMBL24603484 | 0.64 | — | — | |
| SCHEMBL20626385 | 0.62 | — | — | |
| SCHEMBL22666661 | 0.61 | APP (0.36) | — | |
| SCHEMBL22102526 | 0.61 | PTGDR2 (0.39) | — | |
| SCHEMBL24258162 | 0.61 | ALOX15 (0.38) | — | |
| SCHEMBL21940182 | 0.60 | HSD17B10 (0.43) | — |
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-20210095070-A1 | POLYMER EMBODIMENTS COMPRISING NANOHOOP-CONTAINING POLYMER BACKBONES AND METHODS OF MAKING AND USING THE SAME | University of Oregon, The Johns Hopkins University, and Georgetown University | 2021-04-01 | — | — | US | disclosed |