⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8046531 | 0.81 | PTGS1 (0.32) | — | |
| SCHEMBL8042037 | 0.81 | MEN1 (0.31) | — | |
| SCHEMBL8042760 | 0.79 | ATM (0.47) | — | |
| SCHEMBL8032619 | 0.77 | POLB (0.41) | — | |
| SCHEMBL8037024 | 0.73 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL8047624 | 0.71 | GAA (0.40) | — | |
| SCHEMBL8050068 | 0.71 | MEN1 (0.41) | — | |
| SCHEMBL8044052 | 0.71 | MAPK1 (0.49) | — | |
| SCHEMBL8032711 | 0.69 | FBP1 (0.40) | — | |
| SCHEMBL8042342 | 0.69 | PTGS1 (0.33) | — |
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-6080772-A | 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY | SUGEN, INC. (US) | 2000-06-27 | — | — | US | disclosed |