⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5489096 | 0.88 | — | — | |
| SCHEMBL941680 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL28062038 | 0.72 | GLO1 (0.33) | — | |
| SCHEMBL2778174 | 0.69 | — | — | |
| SCHEMBL16426185 | 0.68 | — | — | |
| SCHEMBL574296 | 0.67 | MGAM (0.35) | — | |
| SCHEMBL27818761 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL295231 | 0.65 | — | — | |
| Ethylene Glycol SCHEMBL15361720 | 0.64 | SOAT1 (0.32) | — | |
| SCHEMBL1476684 | 0.64 | ALDH1A1 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9399648-B2 | Isothiazolopyridinones useful for the treatment of (inter alia) cystic fibrosis | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-07-26 | — | — | US | disclosed |
| US-20150031720-A1 | ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-01-29 | — | — | US | disclosed |