⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11210507 | 0.88 | — | — | |
| SCHEMBL2471015 | 0.84 | — | — | |
| SCHEMBL11202298 | 0.80 | — | — | |
| SCHEMBL5319058 | 0.69 | — | — | |
| SCHEMBL18652081 | 0.69 | — | — | |
| SCHEMBL11059423 | 0.69 | — | — | |
| Carbamic Acid SCHEMBL11401502 | 0.67 | ACHE (0.37) | — | |
| SCHEMBL2795931 | 0.67 | — | — | |
| SCHEMBL8561046 | 0.67 | — | — | |
| SCHEMBL25083252 | 0.66 | PHF8 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002081082-A1 | IRON-BASED CATALYST COMPOSITION FOR PRODUCING OLIGOMERS OF CONJUGATED DIENES | BRIDGESTONE CORPORATION (JP) | 2002-10-17 | — | — | WO | disclosed |
| EP-0159533-A2 | Thiatriazine derivatives | HOECHST UK LIMITED (GB) | 1985-10-30 | — | — | EP | disclosed |