⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36990 | 0.83 | CYP2C19 (0.59) | — | |
| SCHEMBL10834211 | 0.83 | CYP2C19 (0.59) | — | |
| Hydrogen Peroxide SCHEMBL16799548 | 0.80 | CYP2C19 (0.56) | — | |
| Ammonia Solution, Strong SCHEMBL7923599 | 0.80 | CYP2C19 (0.56) | — | |
| SCHEMBL29243915 | 0.80 | CYP2C19 (0.56) | — | |
| SCHEMBL9659709 | 0.80 | CYP2C19 (0.56) | — | |
| Water SCHEMBL3865217 | 0.80 | CYP2C19 (0.56) | — | |
| Fluoride SCHEMBL5203462 | 0.80 | CYP2C19 (0.56) | — | |
| Methane SCHEMBL9155165 | 0.80 | CYP2C19 (0.56) | — | |
| SCHEMBL8720706 | 0.80 | CYP2C19 (0.56) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8461135-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2013-06-11 | — | — | US | claimed |
| US-8039450-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2011-10-18 | — | — | US | claimed |