⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20268715 | 1.00 | — | — | |
| SCHEMBL60818 | 1.00 | — | — | |
| SCHEMBL25290906 | 0.93 | — | — | |
| SCHEMBL1227704 | 0.93 | — | — | |
| SCHEMBL7991301 | 0.91 | NPC1 (0.31) | — | |
| SCHEMBL9659300 | 0.91 | NPC1 (0.31) | — | |
| SCHEMBL72928 | 0.84 | — | — | |
| SCHEMBL1524549 | 0.81 | — | — | |
| SCHEMBL16398536 | 0.81 | — | — | |
| SCHEMBL7980514 | 0.81 | — | — |
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-2015008097-A1 | ASYMMETRIC SYNTHESIS OF CHIRAL COMPOUNDS | ISIS INNOVATION LIMITED (GB) | 2015-01-22 | — | — | WO | disclosed |