Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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.
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 | |
|---|---|---|---|---|
| SCHEMBL207289 | 0.87 | KDM4E (0.31) | — | |
| Bromide SCHEMBL2439098 | 0.85 | KDM4E (0.30) | — | |
| Iodide SCHEMBL4566524 | 0.85 | KDM4E (0.30) | — | |
| Hydrochloric Acid SCHEMBL572631 | 0.85 | KDM4E (0.33) | — | |
| Acetic Acid SCHEMBL14164758 | 0.85 | — | — | |
| Sulfurous Acid SCHEMBL17668119 | 0.84 | — | — | |
| SCHEMBL301291 | 0.84 | — | — | |
| SCHEMBL2380591 | 0.81 | — | — | |
| SCHEMBL19668116 | 0.81 | — | — | |
| SCHEMBL6890015 | 0.81 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012174459-A2 | USE OF PRESSURE TO ENHANCE IONIC LIQUID PRETREATMENT OF BIOMASS | SANDIA CORPORATION (US) | 2012-12-20 | — | — | WO | claimed |
| WO-2011041455-A1 | RECOVERY OF SUGARS FROM IONIC LIQUID BIOMASS LIQUOR BY SOLVENT EXTRACTION | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-04-07 | — | — | WO | claimed |
| EP-3230270-A1 | METHODS FOR CONVERTING CELLULOSE TO FURANIC PRODUCTS | Virdia, Inc. (US) | 2017-10-18 | — | — | EP | disclosed |
| WO-2016105538-A1 | ADJUSTING THE PH OF A PRETREATMENT SOLUTION USING CARBON DIOXIDE USEFUL FOR INTEGRATING SACCHARIFICATION AND FERMENTATION | SANDIA CORPORATION SANDIA NATIONAL LABORATORIES (US) | 2016-06-30 | — | — | WO | disclosed |
| WO-2016106094-A2 | METAL-ORGANIC FRAMEWORKS FOR THE CONVERSION OF LIGNOCELLULOSIC DERIVATIVES TO RENEWABLE PLATFORM CHEMICALS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2016-06-30 | — | — | WO | disclosed |
| WO-2016094878-A1 | METHODS FOR CONVERTING CELLULOSE TO FURANIC PRODUCTS | VIRDIA, INC. (US) | 2016-06-16 | — | — | WO | disclosed |
| WO-2012174459-A2 | USE OF PRESSURE TO ENHANCE IONIC LIQUID PRETREATMENT OF BIOMASS | SANDIA CORPORATION (US) | 2012-12-20 | — | — | WO | disclosed |
| WO-2011041455-A1 | RECOVERY OF SUGARS FROM IONIC LIQUID BIOMASS LIQUOR BY SOLVENT EXTRACTION | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-04-07 | — | — | WO | disclosed |
| WO-2010124266-A2 | THERMOSTABLE CELLULASES, AND MUTANTS THEREOF, CAPABLE OF HYDROLYZING CELLULOSE IN IONIC LIQUID | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-10-28 | — | — | WO | disclosed |