⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6531264 | 0.81 | — | — | |
| SCHEMBL12151221 | 0.75 | — | — | |
| SCHEMBL8388657 | 0.72 | — | — | |
| SCHEMBL461783 | 0.72 | — | — | |
| SCHEMBL9070353 | 0.72 | — | — | |
| SCHEMBL21366417 | 0.71 | — | — | |
| SCHEMBL1713593 | 0.70 | — | — | |
| SCHEMBL91381 | 0.70 | — | — | |
| SCHEMBL5512529 | 0.67 | — | — | |
| SCHEMBL2043728 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4172197-A | BACTERICIDES | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1979-10-23 | — | — | US | claimed |
| WO-2005026139-A1 | NEMATICIDAL DIFLUOROALKENES | BAYER CROPSCIENCE AG (DE) | 2005-03-24 | — | — | WO | disclosed |