⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3094472 | 0.81 | — | — | |
| SCHEMBL5610682 | 0.81 | — | — | |
| SCHEMBL18163821 | 0.81 | — | — | |
| SCHEMBL17607593 | 0.81 | — | — | |
| SCHEMBL13378023 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL13832619 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL597793 | 0.80 | — | — | |
| SCHEMBL19158064 | 0.80 | — | — | |
| SCHEMBL9764131 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL11533508 | 0.79 | TSHR (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7566799-B2 | Process for the preparation of alkylaryl compounds and sulfonates thereof | BASF AKTIENGESELLSCHAFT (DE) | 2009-07-28 | — | — | US | disclosed |
| CN-1323991-C | Process for preparing alkylaryl compounds and sulfonates thereof | BASF AG (DE) | 2007-07-04 | — | — | CN | disclosed |
| CN-1592728-A | Method for producing alkylaryl compounds and sulfonates thereof | BASF AG (DE) | 2005-03-09 | — | — | CN | disclosed |
| US-20040254411-A1 | Method for producing alkylaryl compounds and sulfonates thereof | BASF AKTIENGESELLSCHAFT (DE) | 2004-12-16 | — | — | US | disclosed |
| EP-1434752-A2 | METHOD FOR PRODUCING ALKYLARYL COMPOUNDS AND SULFONATES THEREOF | BASF AKTIENGESELLSCHAFT (DE) | 2004-07-07 | — | — | EP | disclosed |
| WO-2003029172-A2 | METHOD FOR PRODUCING ALKYLARYL COMPOUNDS AND SULFONATES THEREOF | BASF AKTIENGESELLSCHAFT (DE) | 2003-04-10 | — | — | WO | disclosed |