⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18502845 | 0.77 | EPHX1 (0.37) | — | |
| SCHEMBL21283080 | 0.77 | EPHX1 (0.37) | — | |
| SCHEMBL14958730 | 0.77 | EPHX1 (0.37) | — | |
| SCHEMBL18806384 | 0.75 | — | — | |
| SCHEMBL18400698 | 0.72 | OPRM1 (0.31) | — | |
| SCHEMBL20099657 | 0.72 | MEN1 (0.37) | — | |
| SCHEMBL8851759 | 0.72 | CHRM2 (0.33) | — | |
| SCHEMBL20368642 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL5948812 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL20107212 | 0.69 | LMNA (0.32) | — |
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-2018081367-A1 | CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS | JANSSEN PHARMACEUTICA NV (BE) | 2018-05-03 | — | — | WO | disclosed |