SCHEMBL2532026

SCHEMBL2532026

CCCCC(CC)COC(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
MAPK1 P28482 3/20 0.67
TSHR P16473 3/20 0.67
CYP3A4 P08684 3/20 0.63
CA2 P00918 1/20 0.63
LMNA P02545 3/20 0.60
HSD17B10 Q99714 1/20 0.60
PRSS1 P07477 1/20 0.56
PRSS2 P07478 1/20 0.56
PRSS3 P35030 1/20 0.56
TDP1 Q9NUW8 2/20 0.48
ATM Q13315 1/20 0.48
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.43

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
Isophthalic Acid SCHEMBL7186961 1.00 ALDH1A1 (0.67) ALDH1A1MAPK1TSHRCYP3A4CA2
Isophthalic Acid SCHEMBL28378656 0.96 ALDH1A1 (0.65) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL3777099 0.95 PRSS1 (0.64) ALDH1A1MAPK1TSHRCYP3A4CA2
Isophthalic Acid SCHEMBL28378658 0.95 ALDH1A1 (0.64) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL108377 0.95 ALDH1A1 (0.73) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL32670285 0.95 ALDH1A1 (0.73) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL30823218 0.95 ALDH1A1 (0.73) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL24300536 0.92 ALDH1A1 (0.70) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL18969812 0.92 ALDH1A1 (0.70) ALDH1A1MAPK1TSHRCYP3A4CA2
Phthalic Acid SCHEMBL14917313 0.91 ALDH1A1 (0.70) ALDH1A1MAPK1TSHRCYP3A4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116419945-B Plasticizer composition and resin composition containing the same 株式会社LG化学 2024-06-21 CN claimed
CN-116057117-B Isophthalate plasticizer composition and resin composition containing the same 株式会社LG化学 2024-03-22 CN claimed
EP-4253463-A1 ISOPHTHALATE-BASED PLASTICIZER COMPOSITION AND RESIN COMPOSITION COMPRISING SAME Lg Chem, Ltd. (KR) 2023-10-04 EP claimed
WO-2023163544-A1 PLASTICIZER COMPOSITION AND RESIN COMPOSITION COMPRISING SAME 주식회사 엘지화학 2023-08-31 WO claimed
WO-2023163546-A1 PLASTICIZER COMPOSITION AND RESIN COMPOSITION COMPRISING SAME 주식회사 엘지화학 2023-08-31 WO claimed
CN-116419945-A Plasticizer composition and resin composition containing the same 株式会社LG化学 2023-07-11 CN claimed
CN-113692425-B Plasticizer composition and resin composition comprising the same 株式会社LG化学 2023-06-30 CN claimed
CN-116057117-A Isophthalate plasticizer composition and resin composition containing the same 株式会社LG化学 2023-05-02 CN claimed
CN-113692425-A Plasticizer composition and resin composition comprising the same 株式会社LG化学 2021-11-23 CN claimed
CN-113383233-A Analysis method, analysis device, and program 株式会社岛津制作所 2021-09-10 CN claimed
CN-108350216-B Plasticizer composition, resin composition and method for producing the same 株式会社LG化学 2020-02-11 CN claimed
CN-116903778-B Suspension medium material for light valve and light valve 浙江精一新材料科技有限公司 2024-07-05 CN disclosed
WO-2024138548-A1 ADHESIVE, LAMINATE, AND PACKAGING MATERIAL DIC CORPORATION (JP) 2024-07-04 WO disclosed
CN-116419945-B Plasticizer composition and resin composition containing the same 株式会社LG化学 2024-06-21 CN disclosed
CN-116419945-B Plasticizer composition and resin composition containing the same 株式会社LG化学 2024-06-21 CN disclosed
US-4464277-A Synthetic lubricant composition STANDARD OIL COMPANY (INDIANA) (US) 1984-08-07 US disclosed
US-4378320-A PVC PLASTICIZER STAUFFER CHEMICAL COMPANY (US) 1983-03-29 US disclosed
US-4280945-A Vinyl chloride compositions plasticized with meta-tertiary-butylphenyl diphenyl phosphate STAUFFER CHEMICAL COMPANY (US) 1981-07-28 US disclosed
US-4153592-A HYDROPHOBIC-HYDROPHILIC ADDITION INTERPOLYMER, AMINE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1979-05-08 US disclosed
US-4097440-A PAINTS, ADDITION POLYMERS, PLASTICIZERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-06-27 US disclosed