SCHEMBL43994

SCHEMBL43994

CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(O)C(C)(C)CO

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
TP53 P04637 1/20 0.36
PTGS1 P23219 1/20 0.35
KCNH2 Q12809 1/20 0.35
OR51E2 Q9H255 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
SLC7A5 Q01650 1/20 0.31
PGD P52209 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
SCHEMBL29796591 1.00 TRPA1 (0.41) TRPA1TP53PTGS1KCNH2OR51E2
SCHEMBL7933228 1.00 TRPA1 (0.41) TRPA1TP53PTGS1KCNH2OR51E2
SCHEMBL56322 1.00 TRPA1 (0.41) TRPA1TP53PTGS1KCNH2OR51E2
Benzene SCHEMBL28271106 0.96 TRPA1 (0.47) TRPA1TP53PTGS1KCNH2OR51E2
Acetic Acid SCHEMBL11315936 0.96 TRPA1 (0.39) TRPA1TP53PTGS1KCNH2OR51E2
1,4-Butanediol SCHEMBL28964157 0.92 PTGS1 (0.42) TRPA1TP53PTGS1KCNH2
Phosphoric Acid SCHEMBL28103751 0.92 TRPA1 (0.37) TRPA1TP53PTGS1KCNH2
Propionic Acid SCHEMBL2795059 0.92 FFAR3 (0.37) TRPA1TP53PTGS1KCNH2
Bicarbonate SCHEMBL4019509 0.91 TRPA1 (0.44) TRPA1TP53PTGS1KCNH2
Adipic Acid SCHEMBL27614593 0.89 LMNA (0.38) OR51E2

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

Appears in 2991 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260040438-A1 CONDUCTIVE AND CORROSIVE-RESISTANT LIQUID METAL COMPOSITIONS AND ELECTRONIC DEVICES USING SAME META PLATFORMS TECH LLC (US) 2026-02-05 US claimed
US-12441898-B2 Viscosity modifiers for energy curable inks SUN CHEMICAL CORPORATION (US) 2025-10-14 US claimed
US-12371585-B2 Bio-based coating compositions and methods of preparation thereof KRATON CHEMICAL LLC (US) 2025-07-29 US claimed
US-20250163285-A1 VISCOSITY MODIFIERS FOR ENERGY CURABLE INKS SUN CHEMICAL CORPORATION (US) 2025-05-22 US claimed
WO-2025011589-A1 IMPROVED CONDUCTIVE POWDER AND SLURRY 隆基绿能科技股份有限公司 2025-01-16 WO claimed
WO-2024222728-A1 ARTIFICIAL LEATHER AND PREPARATION METHOD THEREFOR 北京微构工场生物技术有限公司 2024-10-31 WO claimed
US-20240309144-A1 SILANE MODIFIED ALIPHATIC POLYUREA EVONIK OPERATIONS GMBH (DE) 2024-09-19 US claimed
US-20240208890-A1 RECYCLED CONTENT OXO PRODUCTS EASTMAN CHEMICAL COMPANY (US) 2024-06-27 US claimed
US-20240182763-A1 One-Component Aqueous Spray Adhesive COVESTRO DEUTSCHLAND AG (DE) 2024-06-06 US claimed
WO-2024103534-A1 POLYURETHANE CURING AGENT, PREPARATION METHOD THEREFOR, AND USE THEREOF 江苏奥斯佳材料科技股份有限公司 2024-05-23 WO claimed
US-4678817-A 2,2,4-TRIMETHYL-1,3-PENTANEDIOL DIISOBUTYRATE AKZO NV (NL) 1987-07-07 US claimed
EP-0209181-A2 Novel desensitized ketone peroxide compositions and their use in the manufacture of foundry cores or moulds AKZO N.V. (NL) 1987-01-21 EP claimed
EP-0202833-A2 Composition and use of the composition for the extraction of metals from aqueous solutions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-11-26 EP claimed
US-4615910-A Replasticization of an already manufactured flexible vinyl product to prevent cracking or tearing of said product GASMAN ROBERT C 1986-10-07 US claimed
EP-0006212-B1 SYSTEM OF PULVERISATION IN THE FORM OF AN AEROSOL Airwick AG (CH) 1981-08-05 EP claimed
US-4262936-A FOR PRESSURE SENSITIVE RECORDING FUJI PHOTO FILM CO., LTD. (JP) 1981-04-21 US claimed
US-4110539-A FROM 2,4-DIISOPROPYL-5,5-DIMETHYL-1,3-DIOXANE AND ISOBUTYRIC ACID, ACID CATALYST EASTMAN KODAK COMPANY (US) 1978-08-29 US claimed
US-4090402-A Slow-solubility inspection penetrant composition containing a solubility accelerator ALBURGER JAMES R 1978-05-23 US claimed
US-4029626-A Polyurethane composition having easy-reentry property COMMUNICATIONS TECHNOLOGY CORPORATION (US) 1977-06-14 US claimed
US-4027065-A CHROMOGENS IN 2,2,4-TRIMETHYL-1,3-PENTANEDIOL DIISOBUTYRATE NCR CORPORATION (US) 1977-05-31 US claimed