⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL597725 | 0.75 | TSHR (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL9988146 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL17607430 | 0.73 | — | — | |
| SCHEMBL18826948 | 0.72 | — | — | |
| SCHEMBL19849785 | 0.71 | — | — | |
| SCHEMBL17573452 | 0.71 | — | — | |
| SCHEMBL11818651 | 0.71 | — | — | |
| SCHEMBL11982007 | 0.70 | — | — | |
| SCHEMBL277075 | 0.68 | — | — | |
| SCHEMBL10496939 | 0.67 | — | — |
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-20220125086-A1 | POSITIVE ALLOSTERIC MODULATORS OF SWEET TASTE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2022-04-28 | — | — | US | disclosed |