Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| SCHEMBL23530434 | 0.81 | CA1 (0.36) | — | |
| SCHEMBL29074252 | 0.81 | CA1 (0.36) | — | |
| SCHEMBL272976 | 0.81 | CA1 (0.36) | — | |
| Water SCHEMBL4418329 | 0.79 | CA1 (0.35) | — | |
| SCHEMBL15754774 | 0.77 | NFKB1 (0.38) | — | |
| Lithium Ion SCHEMBL28670483 | 0.76 | CA1 (0.36) | — | |
| Potassium Ion SCHEMBL28357766 | 0.76 | CA1 (0.36) | — | |
| SCHEMBL11222107 | 0.76 | SLC22A6 (0.36) | — | |
| SCHEMBL11315229 | 0.74 | SLC22A6 (0.34) | — | |
| SCHEMBL9392655 | 0.74 | NFKB1 (0.44) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102161761-B | Preparation method of amphoteric ion polymer | UNIV ZHEJIANG GONGSHANG | 2012-08-22 | — | — | CN | claimed |
| CN-102161761-A | Preparation method of amphoteric ion polymer | UNIV ZHEJIANG GONGSHANG | 2011-08-24 | — | — | CN | claimed |
| EP-2874713-B1 | PROCESS TO PRODUCE FLUORINATED BETAINES | DU PONT (US) | 2016-06-15 | — | — | EP | disclosed |
| EP-2874713-A1 | PROCESS TO PRODUCE FLUORINATED BETAINES | E. I. du Pont de Nemours and Company (US) | 2015-05-27 | — | — | EP | disclosed |
| CN-104470589-A | Process to produce fluorinated betaines | DU PONT | 2015-03-25 | — | — | CN | disclosed |
| US-8809577-B2 | Process to produce fluorinated betaines | E I DU PONT DE NEMOURS AND COMPANY (US) | 2014-08-19 | — | — | US | disclosed |
| US-20140024855-A1 | PROCESS TO PRODUCE FLUORINATED BETAINES | E I DU PONT DE NEMOURS AND COMPANY (US) | 2014-01-23 | — | — | US | disclosed |
| WO-2014014810-A1 | PROCESS TO PRODUCE FLUORINATED BETAINES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2014-01-23 | — | — | WO | disclosed |
| CN-102161761-B | Preparation method of amphoteric ion polymer | UNIV ZHEJIANG GONGSHANG | 2012-08-22 | — | — | CN | disclosed |
| CN-102161761-A | Preparation method of amphoteric ion polymer | UNIV ZHEJIANG GONGSHANG | 2011-08-24 | — | — | CN | disclosed |
| US-4246194-A | HYDROGEN ION BUFFERS USEFUL IN BIOLOGICAL RESEARCH | RESEARCH ORGANICS, INC. (US) | 1981-01-20 | — | — | US | disclosed |
| US-4169950-A | AMINO-HYDROXY-ALKYL SULFONIC ACID ZWITTERIONS | RESEARCH ORGANICS (US) | 1979-10-02 | — | — | US | disclosed |