SCHEMBL2811713

SCHEMBL2811713

CC(C)(C)OOOOOC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL1684315 1.00 TSHR (0.58) TSHRTDP1ALDH1A1
SCHEMBL1723918 0.95 TSHR (0.64) TSHRTDP1ALDH1A1
SCHEMBL1702215 0.86 TSHR (0.64) TSHRTDP1ALDH1A1
SCHEMBL12127771 0.83 TSHR (0.41) TSHRTDP1ALDH1A1
SCHEMBL18025239 0.83 TSHR (0.41) TSHRTDP1ALDH1A1
SCHEMBL19810592 0.82 TSHR (0.58) TSHRTDP1ALDH1A1
Hexane SCHEMBL4374060 0.80 TSHR (0.39) TSHRTDP1ALDH1A1
SCHEMBL30853600 0.80 TSHR (0.39) TSHRTDP1
SCHEMBL30853601 0.80 TSHR (0.39) TSHRTDP1
SCHEMBL9885769 0.78

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111362880-B Synthesis method of alkyl and aryl-containing pyrimidine compound 新乡医学院(CN) 2023-01-13 CN claimed
CN-107189197-B Comprehensive conveying pipe for high-strength insulating flame-retardant pipeline gallery 上海中塑管业有限公司 2020-05-12 CN claimed
CN-109020790-A A kind of preparation method of 4- naphthenic base acetophenone derivs 苏州大学 2018-12-18 CN claimed
CN-113072493-A Novel synthesis method of 1-fluoromethyl-tetrahydroisoquinoline derivative 中山大学 2021-07-06 CN disclosed
CN-107849332-B Conductive composition, conductor and flexible printed circuit board 太阳油墨制造株式会社 2020-09-04 CN disclosed
CN-109020790-A A kind of preparation method of 4- naphthenic base acetophenone derivs 苏州大学 2018-12-18 CN disclosed
CN-101544526-B Method of activating alpha position C-H key of ether compound and application thereof RENMIN UNIVERSITY OF CHINA 2013-03-27 CN disclosed
CN-101585830-B Method for activating C-H bond on alpha position of thioether compounds and application thereof RENMIN UNIVERSITY OF CHINA 2012-11-28 CN disclosed
CN-101747302-B Method for synthesizing polysubstituted benzofuran compounds PEOPLES UNIV CHINA 2012-03-28 CN disclosed
US-20100248151-A1 METHOD OF MAKING A PRINTING PLATE FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
CN-101747302-A Method for synthesizing polysubstituted benzofuran compounds RENMIN UNIVERSITY OF CHINA 2010-06-23 CN disclosed
CN-101585830-A The method of activating C-H bond on alpha position of thioether compounds and application thereof RENMIN UNIVERSITY OF CHINA (CN) 2009-11-25 CN disclosed
CN-101544526-A Method of activating alpha position C-H key of ether compound and application thereof RENMIN UNIVERSITY OF CHINA 2009-09-30 CN disclosed
US-4268433-A BISPHENOL DIACRYLATE FUJITSU LIMITED (JP) 1981-05-19 US disclosed