⚠ 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 | 0.80 | — | — | |
| SCHEMBL349707 | 0.78 | — | — | |
| SCHEMBL349051 | 0.74 | CSNK1E (0.32) | — | |
| SCHEMBL3861110 | 0.68 | AHR (0.50) | — | |
| SCHEMBL8759431 | 0.66 | ALPL (0.48) | — | |
| SCHEMBL350736 | 0.64 | NOTUM (0.31) | — | |
| SCHEMBL17289104 | 0.64 | AHR (0.30) | — | |
| SCHEMBL16026307 | 0.63 | GPR3 (0.31) | — | |
| SCHEMBL11563003 | 0.63 | AHR (0.33) | — | |
| SCHEMBL12879213 | 0.63 | PTGS2 (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 4 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-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-2010086109-A1 | ACTIVE COMPOUND COMBINATIONS | BAYER CROPSCIENCE AG (DE) | 2010-08-05 | — | — | WO | disclosed |