SCHEMBL61445

SCHEMBL61445

O=C(O)C(=O)CF

nearest known ligand 0.00

⚠ 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
SCHEMBL11872390 0.96
Fluoride SCHEMBL3941765 0.96
Water SCHEMBL11506187 0.96
Ammonia Solution, Strong SCHEMBL11505814 0.96
SCHEMBL5175619 0.96
Water SCHEMBL11506405 0.93
Pyruvate SCHEMBL2065225 0.87 OR51E2 (0.41)
SCHEMBL361798 0.75 OR51E2 (0.79)
SCHEMBL5582766 0.74 HAO1 (0.43)
SCHEMBL27857415 0.72 OR51E2 (0.73)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462359-A Preparation method of 3-fluoropyruvate 安庆正大经纬生物科技有限公司 2025-02-18 CN claimed
CN-115927527-A Method for screening MK-7 high-producing bacteria 江南大学 2023-04-07 CN claimed
CN-113881723-A Fermentation, separation and purification method of L-valine 乐康珍泰(天津)生物技术有限公司 2022-01-04 CN claimed
US-11077078-B2 Compositions and methods for the treatment of cancer KODISCOVERY, LLC (US) 2021-08-03 US claimed
CN-107056606-B Preparation method of 3-fluoropyruvic acid 浙江工业大学 2020-10-09 CN claimed
CN-111500510-B Constant-volume fermentation process for improving production efficiency of valine 乐康珍泰(天津)生物技术有限公司 2020-09-18 CN claimed
CN-111500510-A Constant-volume fermentation process for improving production efficiency of valine 乐康珍泰(天津)生物技术有限公司 2020-08-07 CN claimed
US-10500175-B2 Compositions and methods for the treatment of cancer KODISCOVERY, LLC (US) 2019-12-10 US claimed
US-20190142775-A1 TREATING ACTIVATED DERMAL CONDITIONS WITH AGENTS THAT TARGET ENERGY METABOLISM SCIADERM, INC. 2019-05-16 US claimed
EP-2063881-B1 A COMPOSITION AND METHOD FOR THE EFFICACIOUS AND SAFE ADMINISTRATION OF HALOPYRUVATE FOR THE TREATMENT OF CANCER KO YOUNG HEE (US) 2019-05-08 EP claimed
WO-1997019673-A2 REDUCTION OF HAIR GROWTH HANDELMAN, JOSEPH, H. (US) 1997-06-05 WO claimed
US-4874044-A Method for oil recovery using a modified heteropolysaccharide TEXACO INC. (US) 1989-10-17 US claimed
EP-0031982-B1 3-SUBSTITUTED-3-FLUOROPYRUVIC ACIDS AND THEIR ESTERS AND SALTS, AND PRODUCTION THEREOF Daikin Kogyo Co., Ltd. (JP) 1985-06-05 EP claimed
US-4390702-A 3-Substituted-3-fluoropyruvic acids and their esters and salts, and production thereof DAIKAN KOGYO CO., LTD. (JP) 1983-06-28 US claimed
US-4363815-A Alpha hydroxyacids, alpha ketoacids and their use in treating skin conditions YU RUEY J 1982-12-14 US claimed
EP-0031982-A2 3-Substituted-3-fluoropyruvic acids and their esters and salts, and production thereof Daikin Kogyo Co., Ltd. (JP) 1981-07-15 EP claimed
US-4275157-A CULTURING MUTANTS OF BREVIBACTERIA AND CORYNEBACTERIA AJINOMOTO COMPANY, INCORPORATED (JP) 1981-06-23 US claimed
US-4149012-A Synthesis of racemic 3-fluoro-alanine and its salts MERCK & CO., INC. (US) 1979-04-10 US claimed
US-3976689-A Process for preparing 3-fluoro-D-alanine and its deutero analogs MERCK & CO., INC. (US) 1976-08-24 US claimed
US-3972921-A Synthesis of racemic 2-deutero-3-fluoro-alanine and its salts MERCK & CO., INC. (US) 1976-08-03 US claimed