SCHEMBL525172

SCHEMBL525172

CC=C(COC(C)=O)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.35
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRNB2 P17787 1/20 0.33
TBXA2R P21731 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33

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
SCHEMBL3010478 1.00 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10LMNATDP1
SCHEMBL7160702 0.81 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL7160703 0.81 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL9928633 0.80 ALDH1A1 (0.36) ALDH1A1TSHRHSD17B10LMNATDP1
SCHEMBL9928634 0.80 ALDH1A1 (0.36) ALDH1A1TSHRHSD17B10LMNATDP1
SCHEMBL531366 0.77
SCHEMBL531365 0.77
SCHEMBL10336145 0.75
SCHEMBL6671546 0.72
SCHEMBL2397840 0.72 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112457156-A Reinforcing system and process for preparing 1, 4-butanediol from butadiene and acetic acid 南京延长反应技术研究院有限公司 2021-03-09 CN claimed
EP-2014713-A1 RESIN COMPOSITION AND MULTILAYER STRUCTURE MAKING USE OF THE SAME The Nippon Synthetic Chemical Industry Co., Ltd. (JP) 2009-01-14 EP claimed
JP-2002538250-A 2002-11-12 JP claimed
WO-2002081525-A1 POLYOL LATEX COMPOSITIONS AND CONDENSATION POLYMERS FORMED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2002-10-17 WO claimed
EP-1163290-A2 DIOL LATEX COMPOSITIONS AND MODIFIED CONDENSATION POLYMERS EASTMAN CHEMICAL COMPANY (US) 2001-12-19 EP claimed
WO-2000052079-A1 LATEX MODIFIED NYLON 6 COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 2000-09-08 WO claimed
WO-2000052082-A2 DIOL LATEX COMPOSITIONS AND MODIFIED CONDENSATION POLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-09-08 WO claimed
EP-4421100-A1 PROCESS FOR PRODUCTION OF ETHYLENE-VINYL ALCOHOL COPOLYMER AND PRODUCTION METHOD FOR ETHYLENE-VINYL ALCOHOL COPOLYMER Mitsubishi Chemical Corporation (JP) 2024-08-28 EP disclosed
US-20240270886-A1 ETHYLENE-VINYL ALCOHOL COPOLYMER AND PRODUCTIN METHOD FOR ETHYLENE-VINYL ALCOHOL COPOLYMER MITSUBISHI CHEMICAL CORPORATION (JP) 2024-08-15 US disclosed
WO-2023068242-A1 PROCESS FOR PRODUCTION OF ETHYLENE-VINYL ALCOHOL COPOLYMER AND PRODUCTION METHOD FOR ETHYLENE-VINYL ALCOHOL COPOLYMER 三菱ケミカル株式会社 2023-04-27 WO disclosed
CN-115957782-A Catalyst for synthesizing 1, 4-diacetoxy-2-butene and preparation method and application thereof 中国石油化工股份有限公司 2023-04-14 CN disclosed
EP-3534872-B1 TWO-PHASE ORAL CARE WHITENING COMPOSITIONS COLGATE PALMOLIVE CO (US) 2022-03-23 EP disclosed
US-11066529-B2 Water-soluble matrix, pre-molded article containing resin particles, and method for producing resin particles DAICEL-EVONIK LTD. (JP) 2021-07-20 US disclosed
US-4238356-A REACTION PRODUCT OF A CARBOXYLIC ACID, SELENIUM DIOXIDE, A HYDROXIDE OR ACID SALT, AND AN ACID ANHYDRIDE PHILLIPS PETROLEUM COMPANY (US) 1980-12-09 US disclosed
US-4182901-A AND SUITABLE CARBOXYLIC ACID PHILLIPS PETROLEUM COMPANY (US) 1980-01-08 US disclosed
US-4164616-A FROM THE CONJUGATED DIENE PHILLIPS PETROLEUM COMPANY (US) 1979-08-14 US disclosed
US-4156685-A Process for producing a hydrofuran and a 1,4-diol MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1979-05-29 US disclosed
US-4150239-A DIACETATES, ACETIC ACID, BUTADIENE MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1979-04-17 US disclosed
US-4121039-A REACTING CONJUGATED DIENE WITH OXYGEN, CATALYST SELECTIVITY GAF CORPORATION (US) 1978-10-17 US disclosed
US-4010197-A Process for producing diacetoxybutanes and butanediols MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1977-03-01 US disclosed