SCHEMBL3137028

SCHEMBL3137028

CC(C)[C@H](C(=O)O)[C@H](O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TP53 P04637 1/20 0.47
SLC7A5 Q01650 1/20 0.39
CYP2C9 P11712 1/20 0.39
PDE4A P27815 1/20 0.33
LMNA P02545 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32

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
SCHEMBL19359097 1.00 TSHR (0.50) TSHRTP53SLC7A5CYP2C9PDE4A
SCHEMBL28397725 1.00 TSHR (0.50) TSHRTP53SLC7A5CYP2C9PDE4A
SCHEMBL3760910 1.00 TSHR (0.50) TSHRTP53SLC7A5CYP2C9PDE4A
SCHEMBL259033 1.00 TSHR (0.50) TSHRTP53SLC7A5CYP2C9PDE4A
SCHEMBL14748299 1.00 TSHR (0.50) TSHRTP53SLC7A5CYP2C9PDE4A
SCHEMBL19585105 1.00 TSHR (0.50) TSHRTP53SLC7A5CYP2C9PDE4A
SCHEMBL2246998 0.83 TSHR (0.45) TSHRTP53SLC7A5CYP2C9PDE4A
SCHEMBL2251994 0.83 TSHR (0.45) TSHRTP53SLC7A5CYP2C9PDE4A
SCHEMBL25787135 0.83 TP53 (0.43) TSHRTP53SLC7A5CYP2C9FPR1
Butyric Acid SCHEMBL16972049 0.82 FFAR3 (0.52) TSHRPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4679087-A1 BIOMARKER AND USE THEREOF MEIJI CO., LTD (JP) 2026-01-14 EP claimed
CN-117500934-A Synthesis and use method of beta-hydroxyisovalerate 萨西亚公司 2024-02-02 CN claimed
EP-4573553-A1 QUANTITATIVE AFFINITY ACTIVITY SPECIFIC CELL ENRICHMENT ABSCI Corporation (US) 2025-06-25 EP disclosed
WO-2025058962-A1 HIGH-THROUGHPUT METHODS FOR KINETIC CHARACTERIZATION, QUANTIFYING AND OPTIMIZING ANTIBODIES AND ANTIBODY FRAGMENTS EXPRESSION IN BACTERIA Absci Corporation (US) 2025-03-20 WO disclosed
EP-4047085-B1 NOVEL BRANCHED-CHAIN AMINO ACID AMINOTRANSFERASE MUTANT AND LEUCINE PRODUCTION METHOD USING SAME CJ CHEILJEDANG CORP (KR) 2025-02-26 EP disclosed
WO-2025007767-A1 ENGINEERING BACTERIUM FOR PRODUCING L-VALINE, CONSTRUCTION METHOD, AND USE 黑龙江伊品生物科技有限公司 2025-01-09 WO disclosed
CN-115038787-B Novel branched-chain amino acid aminotransferase variant and leucine production method using the same CJ第一制糖株式会社 2024-04-12 CN disclosed
WO-2024040020-A1 QUANTITATIVE AFFINITY ACTIVITY SPECIFIC CELL ENRICHMENT Absci Corporation (US) 2024-02-22 WO disclosed
CN-117500934-A Synthesis and use method of beta-hydroxyisovalerate 萨西亚公司 2024-02-02 CN disclosed
CN-117467551-A Acid-resistant yeast strain for high yield of L-malic acid, construction method and application thereof 中国科学院天津工业生物技术研究所 2024-01-30 CN disclosed
US-20240026397-A1 MICROORGANISM PRODUCING L-VALINE AND METHOD FOR PRODUCING L-VALINE USING THE SAME CJ CHEILJEDANG CORPORATION (KR) 2024-01-25 US disclosed
EP-2559753-A1 Microorganism having enhanced L-valine productivity and method for producing L-valine using the same CJ CheilJedang Corporation (KR) 2013-02-20 EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
EP-1491625-B1 MUTATED ISOPROPYLMALATE ISOMERASE KYOWA HAKKO BIO CO LTD (JP) 2010-07-21 EP disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
US-7445915-B2 Mutant isopropylmalate isomerase KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-11-04 US disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed
US-20050130276-A1 Mutated isopropylmalate isomerase KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-06-16 US disclosed