⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5935763 | 0.76 | — | — | |
| Methylthiouracil SCHEMBL11433163 | 0.73 | — | — | |
| SCHEMBL26032090 | 0.73 | — | — | |
| SCHEMBL908316 | 0.73 | — | — | |
| SCHEMBL3218251 | 0.73 | — | — | |
| SCHEMBL24126879 | 0.73 | — | — | |
| SCHEMBL19236889 | 0.72 | SHMT2 (0.45) | — | |
| SCHEMBL30741340 | 0.72 | HTT (0.67) | — | |
| SCHEMBL27523672 | 0.71 | GAA (0.47) | — | |
| SCHEMBL3216284 | 0.71 | GAA (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3650443-A1 | CONTINUOUS FLOW SYNTHESIS OF FLUORINATED OR NON-FLUORINATED PYRAZOLES | Fujian Yongjing Technology Co., Ltd. (CN) | 2020-05-13 | — | — | EP | disclosed |