⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10848367 | 0.78 | — | — | |
| SCHEMBL14002497 | 0.76 | — | — | |
| SCHEMBL6901463 | 0.75 | ENPEP (0.33) | — | |
| SCHEMBL23960281 | 0.74 | — | — | |
| SCHEMBL23987745 | 0.74 | — | — | |
| SCHEMBL7054800 | 0.74 | — | — | |
| SCHEMBL3095435 | 0.72 | LMNA (0.31) | — | |
| SCHEMBL18983120 | 0.70 | CYP2D6 (0.34) | — | |
| SCHEMBL9810152 | 0.70 | — | — | |
| SCHEMBL18983138 | 0.70 | CYP2D6 (0.34) | — |
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-2011053821-A1 | MACROCYCLIC GHRELIN RECEPTOR ANTAGONISTS AND INVERSE AGONISTS AND METHODS OF USING THE SAME | TRANZYME PHARMA, INC. (US) | 2011-05-05 | — | — | WO | disclosed |