⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25584159 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL24145265 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL3400216 | 0.65 | — | — | |
| SCHEMBL29135027 | 0.63 | — | — | |
| SCHEMBL11990511 | 0.63 | — | — | |
| SCHEMBL1252972 | 0.63 | — | — | |
| SCHEMBL4136909 | 0.59 | — | — | |
| SCHEMBL79688 | 0.59 | — | — | |
| SCHEMBL1446066 | 0.57 | — | — | |
| SCHEMBL8449426 | 0.57 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1467723-A1 | PHENYL SULFOXIDES AND PHENYL SULFONES | Bayer Aktiengesellschaft (DE) | 2004-10-20 | — | — | EP | disclosed |
| WO-2004048321-A1 | PHENYLSULFOXIDE AND PHENYLSULFONE DERIVATIVES | BAYER HEALTHCARE AG (DE) | 2004-06-10 | — | — | WO | disclosed |
| EP-1335908-A2 | PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS | ELI LILLY AND COMPANY (US) | 2003-08-20 | — | — | EP | disclosed |
| WO-2003059335-A1 | PHENYL SULFOXIDES AND PHENYL SULFONES | BAYER HEALTHCARE AG (DE) | 2003-07-24 | — | — | WO | disclosed |
| WO-2002038553-A2 | TRIAZOLE DERIVATIVES AND THEIR USE AS PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS | ELI LILLY AND COMPANY (US) | 2002-05-16 | — | — | WO | disclosed |
| EP-1127055-A2 | STEREOSELECTIVE PROCESS FOR PRODUCING CRYPTOPHYCINS | ELI LILLY AND COMPANY (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000023429-A2 | STEREOSELECTIVE PROCESS FOR PRODUCING CRYPTOPHYCINS | ELI LILLY AND COMPANY (US) | 2000-04-27 | — | — | WO | disclosed |
| WO-1991015807-A1 | RESIST MATERIAL WITH CARBAZOLE DIAZONIUM SALT ACID GENERATOR AND PROCESS FOR USE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-10-17 | — | — | WO | disclosed |