⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL51654 | 0.90 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL51608 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL52066 | 0.81 | HTT (0.32) | — | |
| SCHEMBL52438 | 0.76 | POLB (0.32) | — | |
| SCHEMBL51394 | 0.70 | USP2 (0.31) | — | |
| SCHEMBL52615 | 0.70 | S1PR2 (0.32) | — | |
| SCHEMBL52356 | 0.68 | CYP3A4 (0.32) | — | |
| SCHEMBL51965 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL51658 | 0.67 | OPRL1 (0.31) | — | |
| SCHEMBL51310 | 0.65 | ALDH1A1 (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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8426596-B2 | Process of producing bleach boosters | BASF AKTIENGESELLSCHAFT (DE) | 2013-04-23 | — | — | US | disclosed |
| US-8129531-B2 | Using an isoquinoline compound; alkylation of benzonitrile; reduction ofnitrile to an amine; cyclization | BASF AKTIENGESELLSCHAFT (DE) | 2012-03-06 | — | — | US | disclosed |
| US-20110319622-A1 | PROCESS OF PRODUCING BLEACH BOOSTERS | BASF SE (DE) | 2011-12-29 | — | — | US | disclosed |
| EP-1891192-B1 | ORGANIC CATALYST WITH ENHANCED ENZYME COMPATIBILITY | PROCTER & GAMBLE (US) | 2009-12-16 | — | — | EP | disclosed |
| US-20090149366-A1 | ORGANIC CATALYST WITH ENHANCED ENZYME COMPATIBILITY | MIRACLE GREGORY SCOT | 2009-06-11 | — | — | US | disclosed |
| US-7504371-B2 | Organic catalyst with enhanced enzyme compatibility | THE PROCTER & GAMBLE COMPANY (US) | 2009-03-17 | — | — | US | disclosed |
| US-20080214819-A1 | Process of Producing Bleach Boosters | BASF AKTIENGESELLSCHAFT (DE) | 2008-09-04 | — | — | US | disclosed |
| EP-1896561-A2 | PROCESS OF PRODUCING BLEACH BOOSTERS | BASF SE (DE) | 2008-03-12 | — | — | EP | disclosed |
| US-20070197421-A1 | Organic catalyst with enhanced enzyme compatibility | PROCTER & GAMBLE COMPANY, THE | 2007-08-23 | — | — | US | disclosed |
| WO-2006134144-A2 | PROCESS OF PRODUCING BLEACH BOOSTERS | BASF AKTIENGESELLSCHAFT (DE) | 2006-12-21 | — | — | WO | disclosed |
| US-20060287210-A1 | Organic catalyst with enhanced enzyme compatibility | PROCTER & GAMBLE COMPANY, THE | 2006-12-21 | — | — | US | disclosed |