⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5372259 | 0.91 | — | — | |
| SCHEMBL5586113 | 0.83 | — | — | |
| SCHEMBL2465225 | 0.79 | CES2 (0.39) | — | |
| Malonic Acid SCHEMBL28607314 | 0.79 | LDHA (0.45) | — | |
| SCHEMBL9507573 | 0.77 | — | — | |
| SCHEMBL9389418 | 0.77 | TSHR (0.42) | — | |
| SCHEMBL18861912 | 0.76 | — | — | |
| SCHEMBL7598232 | 0.76 | CHRM1 (0.52) | — | |
| SCHEMBL9576934 | 0.75 | CA2 (0.50) | — | |
| SCHEMBL9421145 | 0.75 | TSHR (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120088770-A1 | ALPHA HELIX MIMETICS AND METHODS RELATING THERETO | PRISM BIOLAB CORPORATION (JP) | 2012-04-12 | — | — | US | disclosed |