⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL904618 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL30141365 | 0.98 | TSHR (0.40) | — | |
| Hydrochloric Acid SCHEMBL18185655 | 0.98 | TSHR (0.40) | — | |
| SCHEMBL12720913 | 0.82 | HRH1 (0.47) | — | |
| SCHEMBL522024 | 0.82 | HRH4 (0.46) | — | |
| SCHEMBL28610171 | 0.79 | HRH4 (0.44) | — | |
| Hydrochloric Acid SCHEMBL10753045 | 0.79 | GRIN2D (0.48) | — | |
| SCHEMBL6014439 | 0.79 | KCNH2 (0.43) | — | |
| SCHEMBL29660292 | 0.78 | HRH4 (0.40) | — | |
| SCHEMBL378811 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024220747-A2 | FLUORINATED CYCLIC DERIVATIVES OF SULFONAMIDES AND SULFONES, AND COMPOSITIONS AND METHODS THEREOF | Lysoway Therapeutics, Inc. (US) | 2024-10-24 | — | — | WO | disclosed |