⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL349707 | 0.78 | — | — | |
| SCHEMBL10431415 | 0.66 | GPR55 (0.46) | — | |
| SCHEMBL12038 | 0.65 | GPR3 (0.33) | — | |
| SCHEMBL16044640 | 0.63 | STIM1 (0.33) | — | |
| SCHEMBL350611 | 0.61 | GPR3 (0.33) | — | |
| SCHEMBL351218 | 0.61 | GPR3 (0.33) | — | |
| SCHEMBL1096709 | 0.61 | GPR3 (0.33) | — | |
| SCHEMBL349055 | 0.58 | P4HB (0.30) | — | |
| SCHEMBL349740 | 0.57 | ADORA2A (0.31) | — | |
| SCHEMBL939408 | 0.57 | GPR3 (0.38) | — |
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 |