⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7055580 | 0.79 | CYP2C9 (0.41) | — | |
| SCHEMBL11014040 | 0.78 | — | — | |
| SCHEMBL10700739 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL135572 | 0.75 | — | — | |
| SCHEMBL9015917 | 0.74 | EHMT2 (0.35) | — | |
| SCHEMBL27885318 | 0.74 | — | — | |
| SCHEMBL9256751 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL9706741 | 0.72 | KDM4E (0.47) | — | |
| SCHEMBL5889180 | 0.72 | RAB9A (0.51) | — | |
| SCHEMBL17504864 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011161131-A1 | HERBICIDAL MIXTURES | BASF SE (DE) | 2011-12-29 | — | — | WO | claimed |