⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2049411 | 0.89 | HSP90AA1 (0.31) | — | |
| SCHEMBL2047650 | 0.89 | JAK2 (0.32) | — | |
| SCHEMBL2048899 | 0.67 | ACHE (0.46) | — | |
| SCHEMBL2049846 | 0.65 | HTT (0.36) | — | |
| SCHEMBL1754620 | 0.65 | — | — | |
| SCHEMBL2045520 | 0.64 | MEN1 (0.46) | — | |
| SCHEMBL2049538 | 0.64 | HSD11B1 (0.36) | — | |
| SCHEMBL2051320 | 0.64 | NPSR1 (0.32) | — | |
| SCHEMBL2048617 | 0.64 | — | — | |
| SCHEMBL25874735 | 0.63 | CA1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100041555-A1 | 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same | MITSUI CHEMICALS AGRO, INC. (JP) | 2010-02-18 | — | — | US | disclosed |