⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18073865 | 0.73 | — | — | |
| SCHEMBL19940053 | 0.71 | — | — | |
| SCHEMBL15978909 | 0.69 | — | — | |
| SCHEMBL9634515 | 0.68 | — | — | |
| SCHEMBL10453124 | 0.68 | — | — | |
| SCHEMBL9618445 | 0.68 | — | — | |
| SCHEMBL17036880 | 0.63 | — | — | |
| SCHEMBL13953726 | 0.62 | AMY1A (0.40) | — | |
| SCHEMBL19940051 | 0.62 | — | — | |
| SCHEMBL22393562 | 0.59 | TSHR (0.32) | — |
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-20170114341-A1 | POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS | BRADSHAW CURT W (US) | 2017-04-27 | — | — | US | disclosed |