⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9540714 | 0.77 | — | — | |
| SCHEMBL10200212 | 0.76 | — | — | |
| SCHEMBL9838493 | 0.73 | CYP2C19 (0.38) | — | |
| SCHEMBL11596603 | 0.71 | ALDH1A1 (0.50) | — | |
| SCHEMBL13592487 | 0.70 | — | — | |
| SCHEMBL1275144 | 0.69 | — | — | |
| SCHEMBL1580624 | 0.69 | — | — | |
| SCHEMBL3069757 | 0.68 | — | — | |
| SCHEMBL19468071 | 0.67 | PHGDH (0.61) | — | |
| SCHEMBL9938559 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3169851-A | — | — | None | — | — | JP | disclosed |
| EP-2069341-B1 | PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS | GLAXO GROUP LTD (GB) | 2010-12-29 | — | — | EP | disclosed |
| WO-2008034860-A1 | PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS | GLAXO GROUP LIMITED (GB) | 2008-03-27 | — | — | WO | disclosed |
| JP-H03169851-A | DITHIOCARBONIC ACID ESTER DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL GERMICIDE CONTAINING THE SAME | TOSOH CORP | 1991-07-23 | — | — | JP | disclosed |