⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16417626 | 0.61 | ALDH1A1 (0.31) | — | |
| SCHEMBL18952898 | 0.56 | — | — | |
| SCHEMBL12079446 | 0.52 | — | — | |
| SCHEMBL373166 | 0.44 | HSP90AA1 (0.50) | — | |
| SCHEMBL8957455 | 0.43 | — | — | |
| SCHEMBL21578108 | 0.43 | HSP90AA1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL4760945 | 0.42 | HSP90AA1 (0.47) | — | |
| SCHEMBL8602370 | 0.42 | — | — | |
| SCHEMBL13911007 | 0.41 | HSP90AA1 (0.44) | — | |
| SCHEMBL185513 | 0.41 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6114580-A | N-arylsulfilimine compounds and their use as catalysts in the preparation of N-arylarylsulfonamide compounds | DOW AGROSCIENCES LLC (US) | 2000-09-05 | — | — | US | disclosed |
| EP-0888297-B1 | N-ARYLSULFILIMINE COMPOUNDS AND THEIR USE AS CATALYSTS IN THE PREPARATION OF N-ARYLARYLSULFONAMIDE COMPOUNDS | DOW AGROSCIENCES LLC (US) | 2000-08-30 | — | — | EP | disclosed |
| US-5973148-A | N-arylsulfilimine compounds and their use as catalysts in the preparation of N-arylarylsulfonamide compounds | DOW AGROSCIENCES LLC (US) | 1999-10-26 | — | — | US | disclosed |