⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20104677 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL20104674 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL21227262 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL18052245 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL22251583 | 0.70 | — | — | |
| SCHEMBL24943422 | 0.69 | — | — | |
| SCHEMBL24773178 | 0.68 | ACACB (0.33) | — | |
| SCHEMBL18602216 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL19465134 | 0.66 | ALDH1A1 (0.40) | — | |
| SCHEMBL21424835 | 0.66 | ALDH1A1 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10640544-B2 | Antibody-coupled cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors | JANSSEN PHARMACEUTICA NV (BE) | 2020-05-05 | — | — | US | disclosed |
| US-20180117170-A1 | ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS | JANSSEN PHARMACEUTICA NV (BE) | 2018-05-03 | — | — | US | disclosed |