⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5843333 | 0.73 | PTPN1 (0.49) | — | |
| SCHEMBL4419507 | 0.52 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL30522772 | 0.51 | TDP1 (0.50) | — | |
| SCHEMBL10907273 | 0.50 | ALDH1A1 (0.32) | — | |
| SCHEMBL11668493 | 0.48 | ALDH1A1 (0.36) | — | |
| SCHEMBL6552180 | 0.48 | TAAR1 (0.40) | — | |
| SCHEMBL7396662 | 0.47 | L3MBTL1 (0.63) | — | |
| SCHEMBL20921292 | 0.47 | L3MBTL1 (0.63) | — | |
| SCHEMBL22995819 | 0.46 | TAAR1 (0.42) | — | |
| SCHEMBL14903728 | 0.46 | TAAR1 (0.58) | — |
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-7019026-B1 | Modulators of Protein Tyrosine Phosphatases (PTPases) | NOVO NORDISK A/S (DK) | 2006-03-28 | — | — | US | claimed |