⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21507796 | 0.74 | — | — | |
| SCHEMBL565535 | 0.67 | NOS3 (0.35) | — | |
| SCHEMBL5982017 | 0.67 | — | — | |
| SCHEMBL124557 | 0.65 | — | — | |
| SCHEMBL12662661 | 0.63 | — | — | |
| SCHEMBL910149 | 0.63 | — | — | |
| SCHEMBL10865743 | 0.60 | ALDH1A1 (0.35) | — | |
| SCHEMBL13562499 | 0.59 | — | — | |
| SCHEMBL4564815 | 0.59 | — | — | |
| SCHEMBL31398609 | 0.58 | — | — |
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-11827657-B2 | Boron containing pyrazole compounds, compositions comprising them, methods and uses thereof | Boehringer Ingelheim Animal Health USA Inc. (US) | 2023-11-28 | — | — | US | disclosed |
| US-20220194965-A1 | BORON CONTAINING PYRAZOLE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF | BORAH, INC. | 2022-06-23 | — | — | US | disclosed |