⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20858709 | 0.81 | SIGMAR1 (0.33) | — | |
| SCHEMBL10815846 | 0.78 | SIGMAR1 (0.44) | — | |
| SCHEMBL1072148 | 0.78 | SIGMAR1 (0.44) | — | |
| SCHEMBL19258960 | 0.78 | KDM4E (0.46) | — | |
| SCHEMBL10561791 | 0.78 | KDM4E (0.46) | — | |
| SCHEMBL19720665 | 0.77 | CYP1A2 (0.32) | — | |
| SCHEMBL82611 | 0.75 | CARM1 (0.48) | — | |
| SCHEMBL21309262 | 0.74 | GBA1 (0.38) | — | |
| SCHEMBL22772885 | 0.74 | — | — | |
| SCHEMBL2297832 | 0.74 | — | — |
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 |