⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20369039 | 0.84 | CYP1A2 (0.48) | — | |
| SCHEMBL4173370 | 0.84 | CYP1A2 (0.48) | — | |
| SCHEMBL20961752 | 0.83 | LCK (0.45) | — | |
| SCHEMBL15865784 | 0.79 | — | — | |
| SCHEMBL10251070 | 0.78 | — | — | |
| SCHEMBL2883935 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL27937279 | 0.75 | — | — | |
| SCHEMBL19497014 | 0.75 | TSHR (0.42) | — | |
| SCHEMBL6784952 | 0.73 | CYP1A2 (0.43) | — | |
| SCHEMBL1209795 | 0.73 | — | — |
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-2022256554-A1 | FLUORINATED TRYPTAMINE COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME | UNIVERSITY OF THE SCIENCES (US) | 2022-12-08 | — | — | WO | disclosed |