⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL350075 | 0.78 | — | — | |
| SCHEMBL349205 | 0.78 | — | — | |
| SCHEMBL349051 | 0.77 | CSNK1E (0.32) | — | |
| SCHEMBL350611 | 0.68 | GPR3 (0.33) | — | |
| SCHEMBL14819 | 0.67 | CTNNB1 (0.41) | — | |
| SCHEMBL17289116 | 0.65 | — | — | |
| SCHEMBL8239476 | 0.65 | TSHR (0.39) | — | |
| SCHEMBL12038 | 0.64 | GPR3 (0.33) | — | |
| SCHEMBL12744377 | 0.64 | TSHR (0.34) | — | |
| SCHEMBL512386 | 0.64 | KDM4E (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120015981-A1 | Active compound combinations | BAYER CORPSCIENCE AG (DE) | 2012-01-19 | — | — | US | disclosed |
| EP-2391213-A1 | ACTIVE COMPOUND COMBINATIONS | Bayer CropScience AG (DE) | 2011-12-07 | — | — | EP | disclosed |
| EP-2391214-A1 | ACTIVE COMPOUND COMBINATIONS | Bayer CropScience AG (DE) | 2011-12-07 | — | — | EP | disclosed |
| US-20110294855-A1 | Active Compound Combinations | BAYER CROPSCIENCE AG (DE) | 2011-12-01 | — | — | US | disclosed |
| WO-2010086120-A1 | ACTIVE COMPOUND COMBINATIONS | BAYER CROPSCIENCE AG (DE) | 2010-08-05 | — | — | WO | disclosed |
| WO-2010086109-A1 | ACTIVE COMPOUND COMBINATIONS | BAYER CROPSCIENCE AG (DE) | 2010-08-05 | — | — | WO | disclosed |