⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19174358 | 0.82 | TSHR (0.37) | — | |
| SCHEMBL19174385 | 0.82 | MGAM (0.41) | — | |
| SCHEMBL19174359 | 0.80 | TSHR (0.41) | — | |
| SCHEMBL706893 | 0.78 | — | — | |
| SCHEMBL706892 | 0.78 | — | — | |
| SCHEMBL13650458 | 0.78 | — | — | |
| SCHEMBL21322183 | 0.76 | CA14 (0.46) | — | |
| SCHEMBL21588931 | 0.76 | — | — | |
| SCHEMBL14872098 | 0.76 | — | — | |
| SCHEMBL1604610 | 0.76 | CA14 (0.46) | — |
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-20170210770-A1 | PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. | 2017-07-27 | — | — | US | disclosed |