Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Tert-Butyl Hydroperoxide. 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 | |
|---|---|---|---|---|
| Tert-Butyl Hydroperoxide SCHEMBL27713608 | 0.81 | ALDH1A1 (0.47) | — | |
| SCHEMBL2698666 | 0.78 | TSHR (0.43) | — | |
| Sodium Persulfate SCHEMBL9188 | 0.78 | TSHR (0.43) | — | |
| SCHEMBL7925117 | 0.78 | — | — | |
| SCHEMBL31092352 | 0.77 | — | — | |
| SCHEMBL31508284 | 0.75 | TSHR (0.40) | — | |
| SCHEMBL31390311 | 0.75 | TSHR (0.40) | — | |
| Lithium Ion SCHEMBL29208179 | 0.75 | TSHR (0.40) | — | |
| SCHEMBL29448842 | 0.75 | TSHR (0.40) | — | |
| Sulfuric Acid SCHEMBL8407341 | 0.75 | TSHR (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1940948-A4 | WATER-ABSORBENT AGENT COMPOSITION AND METHOD FOR MANUFACTURING SAME | NIPPON CATALYTIC CHEM IND (JP) | 2009-05-27 | — | — | EP | disclosed |
| EP-1940948-A1 | WATER-ABSORBENT AGENT COMPOSITION AND METHOD FOR MANUFACTURING SAME | Nippon Shokubai Co., Ltd. (JP) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007037522-A1 | WATER-ABSORBENT AGENT COMPOSITION AND METHOD FOR MANUFACTURING SAME | NIPPON SHOKUBAI CO., LTD. (JP) | 2007-04-05 | — | — | WO | disclosed |