⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL891078 | 0.67 | RIPK1 (0.34) | — | |
| SCHEMBL27289904 | 0.67 | KDM4E (0.32) | — | |
| SCHEMBL5962348 | 0.64 | ATAD2 (0.47) | — | |
| SCHEMBL12249888 | 0.64 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL14105505 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL13715290 | 0.63 | HTR2A (0.61) | — | |
| SCHEMBL12634153 | 0.63 | HTR1D (0.61) | — | |
| SCHEMBL18923871 | 0.63 | HTR2A (0.61) | — | |
| SCHEMBL73842 | 0.63 | MEN1 (0.62) | — | |
| SCHEMBL12775805 | 0.61 | GPR84 (0.30) | — |
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-2020099925-A2 | PEPTIDES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING EYE DISEASES | YUYU PHARMA, INC. (KR) | 2020-05-22 | — | — | WO | disclosed |