SCHEMBL620518

SCHEMBL620518

CCC(C)(C)OC(=O)CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.35
SRR Q9GZT4 1/20 0.35
TSHR P16473 3/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FFAR3 O14843 1/20 0.33
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 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
SCHEMBL620517 0.88 GAA (0.42) TSHRALDH1A1TDP1GAAMGAM
SCHEMBL452971 0.83 ALDH1A1 (0.34) LDHASRRTSHRALDH1A1TDP1
SCHEMBL19821814 0.82 MGAM (0.42) TSHRALDH1A1TDP1GAAMGAM
SCHEMBL2059152 0.82 GAA (0.48) TSHRALDH1A1TDP1GAAMGAM
SCHEMBL3929483 0.82 CYP2D6 (0.35) LDHASRRTSHRFFAR3GAA
SCHEMBL2710907 0.81 LDHA (0.38) LDHASRRTSHRALDH1A1TDP1
SCHEMBL13785296 0.80 EGLN1 (0.43) TSHRALDH1A1TDP1FFAR3MEN1
SCHEMBL26978678 0.79 PAM (0.39) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL2967817 0.79 LDHA (0.36) LDHASRRTSHRALDH1A1FFAR3
SCHEMBL19821874 0.78 ALDH1A1 (0.32) TSHRALDH1A1TDP1GAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120118286-A Water-dispersible blocked isocyanate, fiber treating agent, water repellent agent, coating composition, and adhesive 三井化学株式会社 2025-06-10 CN disclosed
CN-120118458-A Curable composition, resin, and cured product 东京应化工业株式会社 2025-06-10 CN disclosed
CN-119937242-A Photosensitive resin composition 东京应化工业株式会社 2025-05-06 CN disclosed
CN-119604592-A Aqueous coating composition and method for forming multilayer coating film 关西涂料株式会社 2025-03-11 CN disclosed
CN-118742206-A Antibacterial agent 三井化学株式会社 2024-10-01 CN disclosed
CN-113337170-B Curable composition, cured product, near infrared absorbing filter, and method for producing same 东京应化工业株式会社 2024-04-05 CN disclosed
US-20240002607-A1 POLYMETALLOXANE, COMPOSITION OF SAME, CURED FILM, METHOD OF PRODUCING THE CURED FILM, MEMBER AND ELECTRONIC COMPONENT EACH PROVIDED WITH THE CURED FILM, FIBER, AND METHOD OF PRODUCING THE FIBER TORAY INDUSTRIES, INC. (JP) 2024-01-04 US disclosed
CN-117327362-A Curable resin composition 东京应化工业株式会社 2024-01-02 CN disclosed
US-20230400766-A1 ONIUM SALT, RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-14 US disclosed
CN-117215149-A Photosensitive resin composition 东京应化工业株式会社 2023-12-12 CN disclosed
US-20140030528-A1 MULTILAYER COATING FILM-FORMING METHOD AND COATED KANSAI PAINT CO., LTD. (JP) 2014-01-30 US disclosed
CN-103492448-A Blocked polyisocyanate compound KANSAI PAINT CO LTD 2014-01-01 CN disclosed
CN-103459049-A Method for forming multiple layered coating film and coated object KANSAI PAINT CO LTD 2013-12-18 CN disclosed
CN-102753596-A Block polyisocyanate composition and coating composition containing same ASAHI CHEMICAL CORP (JP) 2012-10-24 CN disclosed
WO-2012021446-A2 PROCESS FOR PREPARING ALISKIREN AND ITS INTERMEDIATES DR. REDDY'S LABORATORIES LTD. (IN) 2012-02-16 WO disclosed
US-20110045191-A1 MIXED-BLOCKED POLYISOCYANATES AND USES THEREOF JONES RICHARD GARFIELD 2011-02-24 US disclosed
CN-1993321-A 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors HOFFMANN LA ROCHE (CH) 2007-07-04 CN disclosed
US-20040067318-A1 Mixed-blocked polyisocyanates and uses thereof BAXENDEN CHEMICALS LIMITED (GB) 2004-04-08 US disclosed
US-5849855-A Blocked polyisocyanate composition and one-pack thermocuring resin composition comprising the same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1998-12-15 US disclosed
CN-1129098-A Composition for enhancing hair growth NIHON NOHYAKU CO LTD (JP) 1996-08-21 CN disclosed