⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21283635 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL19174268 | 0.61 | — | — | |
| SCHEMBL21486524 | 0.59 | KIF11 (0.32) | — | |
| SCHEMBL18683663 | 0.57 | TSHR (0.32) | — | |
| SCHEMBL10308723 | 0.57 | TSHR (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL27920587 | 0.57 | ADORA3 (0.33) | — | |
| SCHEMBL8331198 | 0.55 | — | — | |
| SCHEMBL1109078 | 0.55 | — | — | |
| SCHEMBL1229356 | 0.54 | TSHR (0.32) | — | |
| SCHEMBL7961121 | 0.54 | LMNA (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-20190345190-A1 | PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. | 2019-11-14 | — | — | US | disclosed |