⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27448639 | 0.88 | — | — | |
| SCHEMBL8854667 | 0.83 | — | — | |
| SCHEMBL8735507 | 0.82 | — | — | |
| SCHEMBL8854470 | 0.79 | KEAP1 (0.34) | — | |
| SCHEMBL8854501 | 0.77 | — | — | |
| SCHEMBL8854610 | 0.77 | KDM4E (0.31) | — | |
| SCHEMBL27450982 | 0.76 | — | — | |
| SCHEMBL8854647 | 0.76 | — | — | |
| SCHEMBL8854450 | 0.75 | PTGES2 (0.33) | — | |
| SCHEMBL8854566 | 0.75 | KAT6A (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1173282-A | Herbicidal method utilizing phosphosulfonate herbicides and oxime ether safeners | ROHM & HAAS (US) | 1998-02-18 | — | — | CN | claimed |
| US-5693590-A | PLANT GROWTH REGULATOR | ROHM AND HAAS COMPANY (US) | 1997-12-02 | — | — | US | claimed |
| CN-1133120-A | Combination containing phosphine sulfonate ester herbicide and dichloro acetamide safety agent | ROHM & HAAS (US) | 1996-10-16 | — | — | CN | claimed |