⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17303073 | 0.76 | — | — | |
| SCHEMBL21782166 | 0.76 | — | — | |
| SCHEMBL24938902 | 0.73 | — | — | |
| SCHEMBL17993964 | 0.60 | — | — | |
| SCHEMBL916373 | 0.59 | — | — | |
| SCHEMBL806479 | 0.58 | — | — | |
| SCHEMBL24289365 | 0.58 | — | — | |
| SCHEMBL12322736 | 0.57 | — | — | |
| SCHEMBL12159646 | 0.55 | — | — | |
| SCHEMBL14905581 | 0.55 | — | — |
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-2017049383-A1 | LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | CYCLENIUM PHARMA INC. (CA) | 2017-03-30 | — | — | WO | disclosed |