⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22215611 | 0.83 | GABRR1 (0.39) | — | |
| SCHEMBL18880054 | 0.80 | DPP7 (0.36) | — | |
| SCHEMBL19369992 | 0.80 | TGFBR1 (0.33) | — | |
| SCHEMBL14314828 | 0.79 | SIRT6 (0.40) | — | |
| SCHEMBL24421009 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL21690505 | 0.78 | HDAC7 (0.35) | — | |
| SCHEMBL20445378 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL14325524 | 0.78 | ACE (0.38) | — | |
| SCHEMBL24420991 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL8197321 | 0.77 | ALDH1A1 (0.41) | — |
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-20200223889-A1 | Bicyclic Compounds Capable of Binding to Melanocortin 4 Receptor | NOVO NORDISK A/S (DK) | 2020-07-16 | — | — | US | disclosed |