⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16120171 | 0.73 | — | — | |
| SCHEMBL3422064 | 0.73 | — | — | |
| SCHEMBL14346960 | 0.71 | — | — | |
| SCHEMBL29197327 | 0.69 | — | — | |
| SCHEMBL1131630 | 0.67 | — | — | |
| SCHEMBL7354680 | 0.67 | — | — | |
| SCHEMBL15684155 | 0.67 | — | — | |
| SCHEMBL31229822 | 0.67 | — | — | |
| SCHEMBL2279160 | 0.65 | — | — | |
| SCHEMBL9161122 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1794129-B1 | Synthesis by chiral diamine-mediated asymmetric alkylation | JANSSEN PHARMACEUTICA NV (BE) | 2015-12-30 | — | — | EP | disclosed |