⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13527733 | 1.00 | — | — | |
| SCHEMBL20026384 | 0.84 | — | — | |
| SCHEMBL19062837 | 0.83 | — | — | |
| SCHEMBL13527732 | 0.81 | — | — | |
| SCHEMBL14568427 | 0.81 | — | — | |
| SCHEMBL14082941 | 0.81 | ACACB (0.32) | — | |
| SCHEMBL14082964 | 0.81 | ACACB (0.32) | — | |
| SCHEMBL14082954 | 0.80 | ACACB (0.31) | — | |
| SCHEMBL14082445 | 0.80 | ACACB (0.30) | — | |
| SCHEMBL14083394 | 0.79 | GRIN2B (0.40) | — |
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-2007025284-A1 | TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | RIB-X PHARMACEUTICALS, INC. (US) | 2007-03-01 | — | — | WO | disclosed |