⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11580121 | 0.73 | — | — | |
| SCHEMBL208586 | 0.69 | — | — | |
| SCHEMBL590700 | 0.67 | — | — | |
| SCHEMBL40105 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL42870 | 0.67 | — | — | |
| SCHEMBL5274569 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL11330747 | 0.65 | — | — | |
| SCHEMBL24473999 | 0.63 | ALDH1A1 (0.30) | — | |
| Alcohol SCHEMBL4448712 | 0.63 | TSHR (0.43) | — | |
| Ether SCHEMBL9062191 | 0.63 | TSHR (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 |
|---|---|---|---|---|---|---|---|
| CN-109689112-A | Coupling of chemoselective thiol groups to alkenyl or alkynyl phosphoramides | 柏林合作研究学会 | 2019-04-26 | — | — | CN | disclosed |