⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22606383 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL8162956 | 0.70 | — | — | |
| Bromide SCHEMBL9878314 | 0.70 | — | — | |
| SCHEMBL12694516 | 0.67 | — | — | |
| SCHEMBL19288032 | 0.64 | — | — | |
| SCHEMBL22677505 | 0.63 | — | — | |
| SCHEMBL15237601 | 0.62 | — | — | |
| SCHEMBL16659535 | 0.62 | — | — | |
| SCHEMBL14228140 | 0.62 | — | — | |
| SCHEMBL23763799 | 0.61 | — | — |
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-2016090079-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. (US) | 2016-06-09 | — | — | WO | disclosed |