⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2526283 | 0.85 | CA1 (0.50) | — | |
| SCHEMBL10890015 | 0.81 | — | — | |
| SCHEMBL268557 | 0.81 | — | — | |
| SCHEMBL27164757 | 0.81 | — | — | |
| SCHEMBL2529707 | 0.80 | TSHR (0.39) | — | |
| SCHEMBL2533483 | 0.79 | — | — | |
| SCHEMBL269738 | 0.79 | CES2 (0.41) | — | |
| SCHEMBL2153461 | 0.78 | — | — | |
| SCHEMBL15342883 | 0.77 | CES2 (0.46) | — | |
| SCHEMBL11683234 | 0.77 | TDP1 (0.42) | — |
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 |