⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5019560 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL2679898 | 0.85 | — | — | |
| SCHEMBL15078731 | 0.82 | — | — | |
| SCHEMBL462522 | 0.81 | — | — | |
| SCHEMBL10194654 | 0.76 | LARS1 (0.54) | — | |
| SCHEMBL22847935 | 0.72 | — | — | |
| SCHEMBL460284 | 0.71 | LARS1 (0.60) | — | |
| SCHEMBL19519707 | 0.70 | — | — | |
| SCHEMBL19647594 | 0.70 | — | — | |
| SCHEMBL15078730 | 0.68 | — | — |
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-2012033858-A2 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, INC. (US) | 2012-03-15 | — | — | WO | disclosed |