⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7565303 | 0.77 | — | — | |
| SCHEMBL20643436 | 0.75 | — | — | |
| SCHEMBL22298010 | 0.73 | — | — | |
| SCHEMBL15151261 | 0.73 | — | — | |
| SCHEMBL23332024 | 0.71 | — | — | |
| SCHEMBL24733629 | 0.70 | — | — | |
| SCHEMBL13647085 | 0.69 | — | — | |
| SCHEMBL18743504 | 0.67 | — | — | |
| SCHEMBL21167232 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL10898924 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020167976-A1 | THIENO[3,2-B] PYRROLE[3,2-D]PYRIDAZINONE DERIVATIVES AND THEIR USE AS PKM2 DERIVATIVES FOR THE TREATMENT OF CANCER, OBESITY AND DIABETES RELATED DISORDERS | AGIOS PHARMACEUTICALS, INC. (US) | 2020-08-20 | — | — | WO | disclosed |