⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11209037 | 0.97 | — | — | |
| SCHEMBL7271127 | 0.84 | — | — | |
| SCHEMBL3974885 | 0.83 | KMT2A (0.30) | — | |
| SCHEMBL35436 | 0.83 | — | — | |
| SCHEMBL7746412 | 0.82 | — | — | |
| SCHEMBL14319853 | 0.80 | — | — | |
| Ethane SCHEMBL1199897 | 0.80 | — | — | |
| SCHEMBL7204269 | 0.80 | — | — | |
| SCHEMBL20539620 | 0.80 | — | — | |
| Methane SCHEMBL7159879 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3142491-A1 | ACTIVE COMPOUND COMBINATIONS | Bayer CropScience Aktiengesellschaft (DE) | 2017-03-22 | — | — | EP | disclosed |
| WO-2016202819-A1 | ACTIVE COMPOUND COMBINATIONS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-12-22 | — | — | WO | disclosed |
| WO-2015173209-A1 | ACTIVE COMPOUND COMBINATIONS | BAYER CROPSCIENCE AG (DE) | 2015-11-19 | — | — | WO | disclosed |
| US-20110105322-A1 | Active Compound Combinations | BAYER CROPSCIENCE AG (DE) | 2011-05-05 | — | — | US | disclosed |
| WO-2011035834-A1 | ACTIVE COMPOUND COMBINATIONS | BAYER CROPSCIENCE AG (DE) | 2011-03-31 | — | — | WO | disclosed |
| EP-2292094-A1 | Active compound combinations | Bayer CropScience AG (DE) | 2011-03-09 | — | — | EP | disclosed |