⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2223174 | 0.76 | — | — | |
| SCHEMBL1768082 | 0.76 | — | — | |
| SCHEMBL4538744 | 0.76 | — | — | |
| SCHEMBL14026314 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28929577 | 0.74 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL19301621 | 0.74 | NAAA (0.52) | — | |
| SCHEMBL845001 | 0.74 | ALDH1A1 (0.52) | — | |
| SCHEMBL3184451 | 0.73 | NAAA (0.66) | — | |
| SCHEMBL19757607 | 0.73 | EPHX1 (0.65) | — | |
| SCHEMBL19745369 | 0.73 | EPHX1 (0.59) | — |
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-20110230350-A1 | ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AG (DE) | 2011-09-22 | — | — | US | disclosed |