Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.64 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | CCR6 | P51684 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
| ▸ | ACLY | P53396 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL5485440 | 0.81 | HDAC8 (0.71) | HDAC8CA1CA2CA9CA12 | |
| SCHEMBL5455838 | 0.80 | — | — | |
| Paraquat SCHEMBL3676472 | 0.79 | SLC6A4 (0.48) | HDAC8 | |
| SCHEMBL5831908 | 0.78 | HDAC8 (0.58) | HDAC8CA1CA2CA9CA12 | |
| Iodide SCHEMBL23131038 | 0.78 | HDAC8 (0.95) | HDAC8CA2CA9CA12CYP2A6 | |
| Iodide SCHEMBL7051892 | 0.78 | HDAC8 (0.95) | HDAC8CA2CA9CA12CYP2A6 | |
| Iodide SCHEMBL23131037 | 0.78 | HDAC8 (0.95) | HDAC8CA2CA9CA12CYP2A6 | |
| Hydrochloric Acid SCHEMBL5831783 | 0.78 | HDAC8 (0.95) | HDAC8CA2CA9CA12CYP2A6 | |
| SCHEMBL9362893 | 0.77 | ALDH1A1 (0.41) | HDAC8CA1CA2CA9CA12 | |
| SCHEMBL31034828 | 0.77 | HDAC8 (0.75) | HDAC8CA1CA2CYP2A6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1854786-A1 | Ionic liquids and their use in extraction processes | BP p.l.c. (GB) | 2007-11-14 | — | — | EP | claimed |
| EP-1854786-A1 | Ionic liquids and their use in extraction processes | BP p.l.c. (GB) | 2007-11-14 | — | — | EP | disclosed |
| US-7109155-B2 | Liquid bleaching composition components comprising amphiphilic polymers | CLARIANT GMBH (DE) | 2006-09-19 | — | — | US | disclosed |
| US-20040167055-A1 | Liquid bleaching composition components comprising amphiphilic polymers | CLARIANT GMBH | 2004-08-26 | — | — | US | disclosed |
| EP-0775127-B1 | N-ALKYL AMMONIUM ACETONITRILE BLEACH ACTIVATORS | CLOROX CO (US) | 2003-09-17 | — | — | EP | disclosed |
| US-5959104-A | N-alkyl ammonium acetonitrile bleach activators | THE CLOROX COMPANY (US) | 1999-09-28 | — | — | US | disclosed |
| US-5958289-A | A QUATERNARY NITROGEN CONTAINING HETEROCYCLIC NITRILE COMPOUND AND A PEROXY COMPOUND | THE CLOROX COMPANY (US) | 1999-09-28 | — | — | US | disclosed |
| US-5741437-A | SOURCE OF ACTIVE OXYGEN REACTS WITH NITRILE FOR BLEACHING APPLICATIONS | THE CLOROX COMPANY (US) | 1998-04-21 | — | — | US | disclosed |
| US-5739327-A | OXYGEN BLEACHES OF NITRILE BONDED TO QUATERNARY NITROGEN | THE CLOROX COMPANY (US) | 1998-04-14 | — | — | US | disclosed |
| EP-0775127-A1 | N-ALKYL AMMONIUM ACETONITRILE BLEACH ACTIVATORS | The Clorox Company (US) | 1997-05-28 | — | — | EP | disclosed |
| WO-1996040661-A1 | N-ALKYL AMMONIUM ACETONITRILE BLEACH ACTIVATORS | THE CLOROX COMPANY (US) | 1996-12-19 | — | — | WO | disclosed |