SCHEMBL777006

SCHEMBL777006

CCCOS(=O)(=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.48
CA1 P00915 14/20 0.48
CA9 Q16790 9/20 0.33
EPHX1 P07099 1/20 0.33
CA12 O43570 3/20 0.32
CA7 P43166 3/20 0.32
CA14 Q9ULX7 3/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
RECQL P46063 2/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
EPHX2 P34913 1/20 0.31
BLM P54132 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
Ammonia Solution, Strong SCHEMBL20185539 0.98 CA2 (0.46) CA2CA1CA9EPHX1CA12
SCHEMBL28166512 0.98 CA2 (0.46) CA2CA1CA9EPHX1CA12
Pyridine SCHEMBL27983879 0.86 CA2 (0.38) CA2CA1TSHR
SCHEMBL777643 0.86 CA2 (0.52) CA2CA1CA9EPHX1CA12
Fluoride SCHEMBL27893472 0.84 CA1 (0.50) CA2CA1CA9EPHX1CA12
SCHEMBL27930318 0.84 CA1 (0.50) CA2CA1CA9EPHX1CA12
SCHEMBL29170929 0.84 CA1 (0.50) CA2CA1CA9EPHX1CA12
SCHEMBL27912318 0.84 CA1 (0.50) CA2CA1CA9EPHX1CA12
SCHEMBL38550 0.84 CA1 (0.54) CA2CA1CA9EPHX1CA12
SCHEMBL1032931 0.84 CA2 (0.47) CA2CA1CA9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118918-A Preparation method of alkyl thioether phenanthridine 贵州民族大学 2024-12-13 CN claimed
CN-115650880-B Recovery processing method of MDI with expiration date, and method and product for preparing carbodiimide modified isocyanate from MDI 万华化学(宁波)有限公司 2024-08-20 CN claimed
EP-4393983-A1 ANTIBACTERIAL PARTICLES CONTAINING CATIONIC POLYMER KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2024-07-03 EP claimed
CN-115181038-B Carbodiimide modified isocyanate with long shelf life and preparation method and application thereof 万华化学(宁波)有限公司 2024-06-25 CN claimed
CN-117836354-A Antibacterial particles containing cationic polymer 麒麟控股株式会社 2024-04-05 CN claimed
CN-115650880-A Recycling method of MDI with over-shelf life, method for preparing carbodiimide modified isocyanate from MDI with over-shelf life and product 万华化学(宁波)有限公司 2023-01-31 CN claimed
CN-115181038-A Carbodiimide modified isocyanate with long shelf life and preparation method and application thereof 万华化学(宁波)有限公司 2022-10-14 CN claimed
CN-112040776-B Antimicrobial resin and coating material 麒麟控股株式会社 2022-07-05 CN claimed
CN-108912030-B Synthesis method of erexib 苏州富士莱医药股份有限公司 2021-11-23 CN claimed
CN-112040776-A Antimicrobial resin and coating material 麒麟控股株式会社 2020-12-04 CN claimed
CN-103833620-A Sulfur-containing ionic liquid, and preparation method and application thereof OCEANS KING LIGHTING SCIENCE 2014-06-04 CN claimed
CN-103833726-A Tetrahydrothiophene ionic liquid, and preparation method and application thereof OCEANS KING LIGHTING SCIENCE 2014-06-04 CN claimed
CN-103772712-A Preparation method of copolymer of polypeptide and polytetrahydrofuran UNIV BEIJING CHEMICAL 2014-05-07 CN claimed
CN-103012802-A Polypeptide and polytetrahydrofuran graft copolymer and preparation method thereof UNIV BEIJING CHEMICAL 2013-04-03 CN claimed
CN-102911369-A Isobutylene/tetrahydrofuran block copolymer and preparation method thereof UNIV BEIJING CHEMICAL 2013-02-06 CN claimed
CN-1789241-B Process for preparing liquid, storage-stable, low-color-index organic isocyanates containing carbodiimide and/or uretonimine groups BAYER AG 2010-09-29 CN claimed
EP-1824827-B1 METHOD FOR PRODUCING ONIUM SALTS COMPRISING ALKYL ANIONS OR ARYL SULFONATE ANIONS OR ALKYL ANIONS OR ARYL CARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT MERCK PATENT GMBH (DE) 2008-09-17 EP claimed
CN-1789241-A Process for preparing liquid, storage-stable, low-color-index organic isocyanates containing carbodiimide and/or uretonimine groups BAYER AG (DE) 2006-06-21 CN claimed
CN-1075141-A 1,4-dihydropyridine-3, the preparation of 5-dicarboxylic acid esters and purposes BAYER AG (DE) 1993-08-11 CN claimed
EP-0551663-A1 Dimethyl 2,6-dimethyl-1n-propyl-4-(4-trifluormethylphenyl)-1,4-dihydro-pyridine-3,5-dicarboxylate, method for its production and its pharmaceutical use BAYER AG (DE) 1993-07-21 EP claimed