⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14704268 | 1.00 | — | — | |
| SCHEMBL15317631 | 1.00 | — | — | |
| SCHEMBL17551030 | 0.82 | — | — | |
| SCHEMBL27809324 | 0.80 | GABRR1 (0.46) | — | |
| SCHEMBL17973546 | 0.79 | MME (0.41) | — | |
| SCHEMBL15117421 | 0.78 | SLC1A3 (0.41) | — | |
| SCHEMBL14123552 | 0.77 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL19444253 | 0.77 | — | — | |
| SCHEMBL16574791 | 0.77 | BLM (0.47) | — | |
| SCHEMBL15398290 | 0.76 | CHRM1 (0.33) | — |
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-20150299250-A1 | MACROCYCLIC COMPOUNDS AND USES THEREOF | THE UNIVERSITY OF ADELAIDE (AU) | 2015-10-22 | — | — | US | disclosed |