⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22452176 | 0.85 | — | — | |
| SCHEMBL1100486 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL2749956 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL124301 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL124302 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL21755878 | 0.69 | — | — | |
| SCHEMBL15800723 | 0.67 | — | — | |
| SCHEMBL19190837 | 0.67 | — | — | |
| SCHEMBL5689546 | 0.67 | — | — | |
| SCHEMBL10486705 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2017121700-A1 | 1,3-DISUBSTITUTED 1H-PYRAZOLO[3,4-B]PYRIDINE DERIVATIVES AND USE THEREOF AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-07-20 | — | — | WO | disclosed |
| US-9346963-B2 | Surface-modified pigment preparations | BASF SE (DE) | 2016-05-24 | — | — | US | disclosed |
| US-20130289174-A1 | SURFACE-MODIFIED PIGMENT PREPARATIONS | BASF SE (DE) | 2013-10-31 | — | — | US | disclosed |
| EP-1738737-B1 | Dimensionally stable articles from cured condensation-crosslinked dental material | KETTENBACH GMBH & CO KG (DE) | 2012-05-16 | — | — | EP | disclosed |