⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1242879 | 0.81 | SMN1; SMN2 (0.87) | — | |
| SCHEMBL6372762 | 0.81 | — | — | |
| SCHEMBL16781718 | 0.81 | CFTR (0.58) | — | |
| SCHEMBL7404866 | 0.81 | — | — | |
| SCHEMBL2494591 | 0.81 | CFTR (0.58) | — | |
| SCHEMBL25269606 | 0.79 | LMNA (0.59) | — | |
| SCHEMBL30488181 | 0.79 | LMNA (0.59) | — | |
| SCHEMBL14944868 | 0.79 | LMNA (0.59) | — | |
| Hydrochloric Acid SCHEMBL3751857 | 0.79 | CFTR (0.56) | — | |
| Hydrochloric Acid SCHEMBL27756032 | 0.79 | SMN1; SMN2 (0.63) | — |
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-2017197488-A1 | LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | CYCLENIUM PHARMA INC. (CA) | 2017-11-23 | — | — | WO | disclosed |