⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14502698 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL387147 | 0.77 | — | — | |
| SCHEMBL24080963 | 0.70 | TSHR (0.40) | — | |
| SCHEMBL4275832 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL18211439 | 0.69 | — | — | |
| SCHEMBL17994044 | 0.67 | — | — | |
| SCHEMBL19478689 | 0.67 | — | — | |
| SCHEMBL3729813 | 0.67 | — | — | |
| SCHEMBL386212 | 0.67 | — | — | |
| SCHEMBL7963776 | 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-20230242552-A1 | Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof | 280 Bio, Inc (US) | 2023-08-03 | — | — | US | disclosed |