SCHEMBL5175137

SCHEMBL5175137

O=C([O-])C(=O)CF.[Na+]

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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.

Compoundsimilaritytop predictedshared targets
Water SCHEMBL11102406 0.97
SCHEMBL11872377 0.93 CASP1 (0.53)
Lithium Ion SCHEMBL11507581 0.93
Water SCHEMBL11506403 0.90
Fluoroacetate SCHEMBL288372 0.77
Fluoroacetate SCHEMBL30106705 0.77
Fluoroacetate SCHEMBL226060 0.77
Fluoroacetate SCHEMBL32663020 0.74 CASP1 (0.92)
Fluoroacetate SCHEMBL9620166 0.74
Fluoroacetate SCHEMBL27420325 0.74

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117185971-A Method for synthesizing florfenicol by coupling through chemical enzyme method 福州大学 2023-12-08 CN claimed
CN-116375615-A Preparation method of florfenicol amine, intermediate thereof and preparation method thereof 弈柯莱生物科技(上海)股份有限公司 2023-07-04 CN claimed
CN-117185971-B Method for synthesizing florfenicol by coupling through chemical enzyme method 福州大学 2025-11-18 CN disclosed
US-20240360131-A1 BIARYL KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-10-31 US disclosed
US-12065437-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-20 US disclosed
CN-117305376-A Method for synthesizing sesquiterpene by regulating and controlling glucose metabolism of escherichia coli 江南大学 2023-12-29 CN disclosed
CN-117185971-A Method for synthesizing florfenicol by coupling through chemical enzyme method 福州大学 2023-12-08 CN disclosed
CN-117185971-A Method for synthesizing florfenicol by coupling through chemical enzyme method 福州大学 2023-12-08 CN disclosed
CN-116375615-A Preparation method of florfenicol amine, intermediate thereof and preparation method thereof 弈柯莱生物科技(上海)股份有限公司 2023-07-04 CN disclosed
US-20210277001-A1 BIARYL KINASE INHIBITORS Cosmic Pet LLC 2021-09-09 US disclosed
US-10981910-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-20 US disclosed
US-20060058383-A1 Propyl 3-bromo-2-oxopropionate and derivatives as novel anticancer agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-03-16 US disclosed
WO-2006020403-A2 3-HALO-2-OXOPROPIONATE SALTS AND ESTERS AS NOVEL ANTICANCER AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-02-23 WO disclosed
EP-0173497-B1 TETRACYCLIC SPIRO-HYDANTOIN ALDOSE REDUCTASE INHIBITORS PFIZER INC. (US) 1989-09-06 EP disclosed
US-4656169-A ENZYME INHIBITORS PFIZER INC. (US) 1987-04-07 US disclosed
EP-0173497-A1 Tetracyclic spiro-hydantoin aldose reductase inhibitors PFIZER INC. (US) 1986-03-05 EP disclosed
WO-1986001107-A1 TETRACYCLIC SPIRO-HYDANTOIN ALDOSE REDUCTASE INHIBITORS, COMPOSITIONS AND METHODS OF MAKING PFIZER INC. (US) 1986-02-27 WO disclosed
US-4149012-A Synthesis of racemic 3-fluoro-alanine and its salts MERCK & CO., INC. (US) 1979-04-10 US disclosed
US-3976689-A Process for preparing 3-fluoro-D-alanine and its deutero analogs MERCK & CO., INC. (US) 1976-08-24 US disclosed
US-3972921-A Synthesis of racemic 2-deutero-3-fluoro-alanine and its salts MERCK & CO., INC. (US) 1976-08-03 US disclosed