⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4972097 | 0.69 | KMT2A (0.32) | — | |
| SCHEMBL9996318 | 0.66 | — | — | |
| SCHEMBL1867667 | 0.64 | — | — | |
| SCHEMBL4970781 | 0.63 | — | — | |
| SCHEMBL28606392 | 0.62 | CYP2C19 (0.32) | — | |
| SCHEMBL9996486 | 0.61 | CTSS (0.37) | — | |
| SCHEMBL6938209 | 0.60 | — | — | |
| SCHEMBL11401790 | 0.59 | CYP2C19 (0.34) | — | |
| SCHEMBL2080818 | 0.58 | CA12 (0.32) | — | |
| Bicarbonate SCHEMBL4691101 | 0.57 | CYP2C19 (0.39) | — |
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-1966139-B1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS INC (US) | 2011-12-21 | — | — | EP | disclosed |