⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3270765 | 0.98 | — | — | |
| SCHEMBL5744600 | 0.98 | ALDH1A1 (0.30) | — | |
| SCHEMBL6635314 | 0.86 | — | — | |
| SCHEMBL32690230 | 0.78 | — | — | |
| SCHEMBL165057 | 0.78 | — | — | |
| SCHEMBL3478339 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL11566416 | 0.76 | — | — | |
| SCHEMBL6130363 | 0.76 | — | — | |
| Azepane SCHEMBL3969610 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL3440551 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010130638-A1 | SULFONAMIDE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | EVOTEC AG (DE) | 2010-11-18 | — | — | WO | disclosed |
| US-20090099157-A1 | TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S | SUNESIS PHARMACEUTICALS, INC. | 2009-04-16 | — | — | US | disclosed |