⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13117154 | 0.74 | ALDH1A1 (0.34) | — | |
| SCHEMBL18485213 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL23601985 | 0.73 | — | — | |
| SCHEMBL21280031 | 0.72 | — | — | |
| SCHEMBL24357464 | 0.70 | — | — | |
| SCHEMBL3662915 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL13257110 | 0.69 | THRB (0.38) | — | |
| SCHEMBL19451369 | 0.68 | — | — | |
| SCHEMBL12695724 | 0.68 | ALDH1A1 (0.37) | — | |
| SCHEMBL13257743 | 0.67 | TSHR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3988123-A1 | ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS | Janssen Pharmaceutica NV (BE) | 2022-04-27 | — | — | EP | disclosed |