⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8764048 | 0.91 | KMT2A (0.32) | — | |
| SCHEMBL8764040 | 0.89 | NR1H4 (0.30) | — | |
| SCHEMBL8734851 | 0.88 | TSHR (0.32) | — | |
| SCHEMBL8764014 | 0.87 | — | — | |
| SCHEMBL8762814 | 0.87 | NR3C1 (0.34) | — | |
| SCHEMBL8764537 | 0.86 | — | — | |
| SCHEMBL8764717 | 0.85 | KMT2A (0.30) | — | |
| SCHEMBL8732281 | 0.84 | ELANE (0.33) | — | |
| SCHEMBL8764108 | 0.84 | CYP1A2 (0.31) | — | |
| SCHEMBL8764685 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0511826-B1 | Phosphosulfonate herbicides | ROHM & HAAS (US) | 1997-07-16 | — | — | EP | claimed |