SCHEMBL506084

SCHEMBL506084

CCC[C](CCC)CCC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.47
CES1 P23141 6/20 0.47
HDAC3 O15379 4/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC8 Q9BY41 4/20 0.44
FFAR3 O14843 3/20 0.44
TSHR P16473 3/20 0.41
ALDH1A1 P00352 4/20 0.39
HDAC6 Q9UBN7 1/20 0.37
CTSD P07339 1/20 0.35
LMNA P02545 1/20 0.31
AKR1B1 P15121 1/20 0.30
TP53 P04637 1/20 0.30

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
Water SCHEMBL23094078 0.95 CES1 (0.44) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL5961192 0.84 CES1 (0.47) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL4075418 0.84 CES1 (0.47) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL497824 0.82
SCHEMBL1678094 0.82
SCHEMBL12475561 0.82 CES2 (0.35) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL4072851 0.82 CES2 (0.50) CES2CES1TSHRALDH1A1AKR1B1
SCHEMBL6267946 0.79 CES2 (0.48) CES2CES1TSHRALDH1A1AKR1B1
SCHEMBL1303135 0.79 CES2 (0.52) CES2CES1TSHRALDH1A1
SCHEMBL6265534 0.79 CES2 (0.52) CES2CES1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105481801-B Preparation method of pregabalin chiral intermediate 广东莱佛士制药技术有限公司 2021-08-13 CN claimed
WO-2016037223-A1 DIRHODIUM COMPOUNDS AND METHODS OF USE GHANEM ASHRAF (AU) 2016-03-17 WO claimed
CN-103857725-B Macromolecular compound and electronic component SUMITOMO CHEMICAL CO.,LTD. (JP) 2016-03-02 CN claimed
US-4528380-A 5-(1-Propyl)n-butyl tetrazoles DELALANDE S.A. (FR) 1985-07-09 US claimed
US-4246240-A USING AN ALKYL PHOSPHONATE ORGANIC EXTRACTION MEDIUM NIPPON MINING CO., LTD. (JP) 1981-01-20 US claimed
EP-3584075-B1 LAMINATE MITSUI CHEMICALS INC (JP) 2024-06-05 EP disclosed
US-11964447-B2 Laminate MITSUI CHEMICALS, INC. (JP) 2024-04-23 US disclosed
US-20240124810-A1 SURFACE TREATMENT COMPOSITION, SURFACE TREATMENT METHOD, AND METHOD FOR PRODUCING SEMICONDUCTOR SUBSTRATE FUJIMI INCORPORATED (JP) 2024-04-18 US disclosed
US-20240101737-A1 WATER DISPERSION COMPOSITION, METHOD FOR PRODUCING THE WATER DISPERSION COMPOSITION, AND ETHYLENE alpha-OLEFIN COPOLYMER ACID-MODIFIED SUBSTANCE MITSUI CHEMICALS, INC. (JP) 2024-03-28 US disclosed
US-20230313080-A1 SURFACE TREATMENT COMPOSITION FUJIMI INCORPORATED (JP) 2023-10-05 US disclosed
US-20230313069-A1 SURFACE TREATMENT COMPOSITION, SURFACE TREATMENT METHOD, AND METHOD FOR PRODUCING SEMICONDUCTOR SUBSTRATE FUJIMI INCORPORATED (JP) 2023-10-05 US disclosed
US-20230313070-A1 COMPOSITION FOR SURFACE TREATMENT, SURFACE TREATMENT METHOD, AND METHOD FOR PRODUCING SEMICONDUCTOR SUBSTRATE FUJIMI INCORPORATED (JP) 2023-10-05 US disclosed
US-3931365-A AMMONIUM OR METAL THIOSULFATE, SULFITE OR BISULFITE STAUFFER CHEMICAL COMPANY (US) 1976-01-06 US disclosed
US-3931366-A PHOSPHORUS TRICHLORIDE STAUFFER CHEMICAL COMPANY (US) 1976-01-06 US disclosed
US-3931364-A Color improvement of phosphate esters STAUFFER CHEMICAL COMPANY (US) 1976-01-06 US disclosed
US-3931367-A Color improvement of phosphate esters STAUFFER CHEMICAL COMPANY (US) 1976-01-06 US disclosed
US-3931362-A HYDRAZINE OR SEMICARBAZIDE STAUFFER CHEMICAL COMPANY (US) 1976-01-06 US disclosed
US-3931361-A DITHIONITE OR FORMALDEHYDE SULFOXYLATE STAUFFER CHEMICAL COMPANY (US) 1976-01-06 US disclosed
US-3931360-A ALKALI METAL NITRILOTRIACETATE STAUFFER CHEMICAL COMPANY (US) 1976-01-06 US disclosed
US-3931363-A ORGANO-ALUMINUM STAUFFER CHEMICAL COMPANY (US) 1976-01-06 US disclosed