SCHEMBL220622

SCHEMBL220622

CC(C)(C)OOC(=O)c1ccccc1C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.58
▸ TSHR P16473 4/20 0.58
▸ TDP1 Q9NUW8 4/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ MAPT P10636 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ CA2 P00918 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ CFTR P13569 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA9 Q16790 1/20 0.34

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
SCHEMBL2244750 0.89 ALDH1A1 (0.45) ALDH1A1TSHRTDP1HSD17B10MAPT
SCHEMBL28206430 0.88 ALDH1A1 (0.43) ALDH1A1TSHRTDP1HSD17B10MAPT
SCHEMBL20488804 0.87 TDP1 (0.45) ALDH1A1TSHRTDP1HSD17B10MAPT
SCHEMBL29631091 0.87 TSHR (0.68) ALDH1A1TSHRTDP1HSD17B10POLB
SCHEMBL155434 0.87 TSHR (0.68) ALDH1A1TSHRTDP1HSD17B10POLB
SCHEMBL28839367 0.86 TSHR (0.54) ALDH1A1TSHRTDP1HSD17B10MAPT
SCHEMBL29519748 0.86 ALDH1A1 (0.44) ALDH1A1TSHRTDP1HSD17B10MAPT
SCHEMBL29430949 0.85 TDP1 (0.67) ALDH1A1TSHRTDP1HSD17B10MAPT
SCHEMBL29519195 0.85 TDP1 (0.67) ALDH1A1TSHRTDP1HSD17B10MAPT
SCHEMBL29690530 0.85 TDP1 (0.67) ALDH1A1TSHRTDP1HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813840-A Flame-retardant polyvinyl chloride resin and preparation method thereof 宜宾天原科创设计有限公司 2023-09-29 — — CN claimed
CN-111138597-B Organosilicon modified cationic acrylic acid secondary dispersion and preparation method thereof 黄禹 2023-02-10 — — CN claimed
CN-114381224-A High-performance optical pressure-sensitive adhesive applied to folding screen and preparation method thereof 无锡万亿星新材料科技有限公司 2022-04-22 — — CN claimed
CN-109890893-B Fluoroelastomer composition 索尔维特殊聚合物意大利有限公司 2022-01-28 — — CN claimed
EP-3532541-B1 FLUOROELASTOMER COMPOSITION SOLVAY SPECIALTY POLYMERS IT (IT) 2022-01-12 — — EP claimed
EP-3752562-B1 FLUOROELASTOMER CURABLE COMPOSITION SOLVAY SPECIALTY POLYMERS IT (IT) 2022-01-12 — — EP claimed
US-11220588-B2 Fluoroelastomer composition SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2022-01-11 — — US claimed
CN-109715718-B Fluoroelastomer composition 索尔维特殊聚合物意大利有限公司 2021-09-21 — — CN claimed
EP-3873985-A1 CURABLE COMPOSITION OF ELASTOMERS Solvay Specialty Polymers Italy S.p.A. (IT) 2021-09-08 — — EP claimed
US-20210252769-A1 HEAT-SHRINKABLE ARTICLE SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2021-08-19 — — US claimed
CN-102317331-A Perfluoroelastomer SOLVAY SOLEXIS SPA 2012-01-11 — — CN claimed
CN-102317330-A Perfluoroelastomer SOLVAY SOLEXIS SPA 2012-01-11 — — CN claimed
US-20110015107-A1 (Per)Fluorinated addition products SOLVAY SOLEXIS S.P.A. (IT) 2011-01-20 — — US claimed
EP-2254930-A1 (PER)FLUORINATED ADDITION PRODUCTS Solvay Solexis S.p.A. (IT) 2010-12-01 — — EP claimed
WO-2010092022-A1 PERFLUOROELASTOMER SOLVAY SOLEXIS S.P.A. (IT) 2010-08-19 — — WO claimed
WO-2010092021-A1 PERFLUOROELASTOMER SOLVAY SOLEXIS S.P.A. (IT) 2010-08-19 — — WO claimed
WO-2009112577-A1 (PER)FLUORINATED ADDITION PRODUCTS SOLVAY SOLEXIS S.P.A. (IT) 2009-09-17 — — WO claimed
EP-2100909-A1 (Per)fluorinated addition products Solvay Solexis S.p.A. (IT) 2009-09-16 — — EP claimed
US-5741813-A ADMINISTERING SUBSTITUTED XANTHONES NATIONAL SCIENCE COUNCIL (TW) 1998-04-21 — — US claimed
EP-0360579-A1 UV curable compositions for making solder mask coating M & T CHEMICALS, INC. (US) 1990-03-28 — — EP claimed
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