⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9540533 | 0.84 | — | — | |
| SCHEMBL9542028 | 0.84 | — | — | |
| SCHEMBL9543144 | 0.82 | — | — | |
| Phosphonic Acid SCHEMBL9540518 | 0.81 | — | — | |
| SCHEMBL9356541 | 0.80 | — | — | |
| SCHEMBL9540514 | 0.80 | S1PR2 (0.33) | — | |
| SCHEMBL8386865 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL9360442 | 0.79 | — | — | |
| Phosphonic Acid SCHEMBL8386716 | 0.78 | — | — | |
| SCHEMBL8386712 | 0.77 | ALDH1A1 (0.30) | — |
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-1993015610-A1 | PHOSPHONIC ACID DERIVATIVES CONTAINING A TRIAZOLE RING AS HERBICIDES | ZENECA LIMITED (GB) | 1993-08-19 | — | — | WO | disclosed |