⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6601905 | 0.85 | HMBS (0.50) | — | |
| SCHEMBL9337759 | 0.80 | HMBS (0.50) | — | |
| SCHEMBL1664245 | 0.78 | — | — | |
| SCHEMBL7712979 | 0.76 | GSK3B (0.45) | — | |
| SCHEMBL9585659 | 0.74 | HMBS (0.43) | — | |
| SCHEMBL18900582 | 0.73 | HMBS (0.42) | — | |
| SCHEMBL1126943 | 0.73 | HMBS (0.42) | — | |
| SCHEMBL17624955 | 0.73 | ALOX15 (0.42) | — | |
| SCHEMBL3164502 | 0.70 | HTT (0.36) | — | |
| SCHEMBL14301059 | 0.70 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| CN-113646050-A | Thieno [3,2-B ] pyrrolo [3,2-D ] pyridazinone derivatives and their use as PKM2 derivatives for the treatment of cancer, obesity and diabetes related disorders | 安吉奥斯医药品有限公司 | 2021-11-12 | — | — | CN | disclosed |