⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1982617 | 0.67 | TSHR (0.36) | — | |
| SCHEMBL18531908 | 0.67 | — | — | |
| SCHEMBL8389973 | 0.65 | — | — | |
| SCHEMBL15021871 | 0.64 | TSHR (0.67) | — | |
| SCHEMBL10836591 | 0.64 | — | — | |
| SCHEMBL672871 | 0.62 | CYP2C19 (0.33) | — | |
| SCHEMBL2154377 | 0.61 | TSHR (0.31) | — | |
| SCHEMBL10714207 | 0.61 | — | — | |
| SCHEMBL289394 | 0.61 | TSHR (0.31) | — | |
| Hydrochloric Acid SCHEMBL10536642 | 0.59 | 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 4 patents. 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 | disclosed |
| US-5500405-A | Phosphosulfonate herbicides | ROHM AND HAAS COMPANY (US) | 1996-03-19 | — | — | US | disclosed |
| US-5272128-A | Phosphosulfonate herbicides | ROHM AND HAAS COMPANY (US) | 1993-12-21 | — | — | US | disclosed |
| EP-0511826-A2 | Phosphosulfonate herbicides | ROHM AND HAAS COMPANY (US) | 1992-11-04 | — | — | EP | disclosed |