⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13199443 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL5454168 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL729436 | 0.72 | — | — | |
| SCHEMBL7154647 | 0.71 | — | — | |
| SCHEMBL9555565 | 0.71 | — | — | |
| SCHEMBL1506053 | 0.71 | ALDH1A1 (0.48) | — | |
| SCHEMBL6589055 | 0.69 | — | — | |
| SCHEMBL8741211 | 0.69 | — | — | |
| SCHEMBL10647762 | 0.69 | TSHR (0.39) | — | |
| SCHEMBL14289075 | 0.68 | CA1 (0.46) | — |
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-20040242817-A1 | Internally coordinated organoboranes | LORD CORPORATION | 2004-12-02 | — | — | US | disclosed |