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 | |
|---|---|---|---|---|
| SCHEMBL1823616 | 1.00 | — | — | |
| SCHEMBL1823613 | 0.76 | FFAR3 (0.37) | — | |
| SCHEMBL1823614 | 0.76 | FFAR3 (0.37) | — | |
| SCHEMBL10363158 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL5176784 | 0.74 | — | — | |
| SCHEMBL633425 | 0.74 | — | — | |
| SCHEMBL28044233 | 0.74 | — | — | |
| SCHEMBL29074637 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL504097 | 0.73 | — | — | |
| SCHEMBL8777461 | 0.72 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0968223-B1 | BIOCONJUGATION OF MACROMOLECULES | SIGMA ALDRICH CO LLC (US) | 2016-12-21 | — | — | EP | disclosed |
| EP-2256133-B1 | Bioconjugation of macromolecules | SIGMA ALDRICH CO LLC (US) | 2016-12-14 | — | — | EP | disclosed |
| EP-2319854-B1 | Bioconjugation Of Macromolecules | SIGMA ALDRICH CO LLC (US) | 2016-11-30 | — | — | EP | disclosed |
| EP-2319855-B1 | Bioconjugation of Macromolecules | SIGMA ALDRICH CO LLC (US) | 2016-04-06 | — | — | EP | disclosed |
| US-20150166596-A1 | Retro Diels Alder Reaction as a Cleavable Linker in DNA/RNA Applications | AGILENT TECHNOLOGIES, INC. | 2015-06-18 | — | — | US | disclosed |
| EP-2319854-A1 | Bioconjugation Of Macromolecules | Sigma-Aldrich Co. (US) | 2011-05-11 | — | — | EP | disclosed |
| EP-2319855-A1 | Bioconjugation of Macromolecules | Sigma-Aldrich Co. (US) | 2011-05-11 | — | — | EP | disclosed |
| EP-2256133-A1 | Bioconjugation of macromolecules | Sigma-Aldrich Co. (US) | 2010-12-01 | — | — | EP | disclosed |
| EP-0968223-A1 | BIOCONJUGATION OF MACROMOLECULES | Proligo L.L.C. (US) | 2000-01-05 | — | — | EP | disclosed |
| WO-1998030575-A1 | BIOCONJUGATION OF MACROMOLECULES | PROLIGO LLC (US) | 1998-07-16 | — | — | WO | disclosed |