SCHEMBL542

SCHEMBL542

O=C1OC(=O)c2c(Cl)ccc(Cl)c21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TYMS P04818 2/20 0.45
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADORA2A P29274 1/20 0.40
CES1 P23141 4/20 0.39
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
LMNA P02545 1/20 0.35
RET P07949 1/20 0.34
GRK5 P34947 1/20 0.34
TYRO3 Q06418 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
GRIA1 P42261 1/20 0.32
CACNG8 Q8WXS5 1/20 0.32
IDO1 P14902 1/20 0.32
DNMT1 P26358 1/20 0.32
DNMT3L Q9UJW3 1/20 0.32
DNMT3A Q9Y6K1 1/20 0.32

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
SCHEMBL29555800 1.00 TSHR (0.52) TSHRALDH1A1TYMSALOX15TDP1
SCHEMBL855012 0.86 ALDH1A1 (0.41) TSHRALDH1A1TYMSALOX15TDP1
SCHEMBL7477968 0.81 KDM4E (0.52) TSHRALDH1A1TDP1ADORA2ACYP1A2
SCHEMBL16863047 0.79 TDP1 (0.50) TSHRALDH1A1TDP1LMNA
SCHEMBL261766 0.78 TYMS (0.52) TSHRALDH1A1TYMSALOX15TDP1
SCHEMBL29351267 0.78 TYMS (0.52) TSHRALDH1A1TYMSALOX15TDP1
Hydrochloric Acid SCHEMBL28685890 0.76 TYMS (0.50) TSHRALDH1A1TYMSALOX15TDP1
SCHEMBL29462450 0.76 TYMS (0.50) TSHRALDH1A1TYMSALOX15TDP1
SCHEMBL855450 0.76 TYMS (0.50) TSHRALDH1A1TYMSALOX15TDP1
SCHEMBL855290 0.74 TSHR (0.56) TSHRALDH1A1TYMSAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4314187-A1 COATING COMPOSITIONS PPG Industries Ohio Inc. (US) 2024-02-07 EP claimed
CN-117402494-A Complex high-strength polyarylene sulfide based composite material and preparation and application thereof 新凝合科技(成都)有限公司 2024-01-16 CN claimed
CN-117083361-A Coating composition PPG工业俄亥俄公司 2023-11-17 CN claimed
WO-2022204686-A1 COATING COMPOSITIONS PPG INDUSTRIES OHIO, INC. (US) 2022-09-29 WO claimed
CN-110698659-B Phthalic anhydride polyester polyol and preparation method thereof 万华化学集团股份有限公司 2022-04-22 CN claimed
US-20220119584-A1 Degradable Urethane and Urethane-Urea Systems LANXESS CORPORATION (US) 2022-04-21 US claimed
CN-110643032-B Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2022-01-28 CN claimed
EP-3921382-A1 DEGRADABLE URETHANE AND URETHANE-UREA SYSTEMS LANXESS Corporation (US) 2021-12-15 EP claimed
CN-113661222-A Degradable urethane and urethane-urea systems 朗盛公司 2021-11-16 CN claimed
CN-113462131-A Preparation method of esterified straw powder PBAT full-degradable composite material 沈阳化工大学 2021-10-01 CN claimed
US-6583248-B1 Methacrylate groups; dental cement AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION 2003-06-24 US claimed
US-6180739-B1 CYCLODEXTRINS WITH ACRYLATE AND ANHYDRIDES AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION 2001-01-30 US claimed
US-5929131-A Polymerizable cyclodextrin derivatives AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION (US) 1999-07-27 US claimed
EP-0772642-B1 STRONG CARBOXYLIC ACID FUNCTIONAL POLYURETHANE POLYMERS AND BLENDS THEREOF USED IN MAGNETIC RECORDING MEDIA MINNESOTA MINING & MFG (US) 1998-10-07 EP claimed
US-5792821-A Polymerizable cyclodextrin derivatives AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION (US) 1998-08-11 US claimed
EP-0772642-A1 STRONG CARBOXYLIC ACID FUNCTIONAL POLYURETHANE POLYMERS AND BLENDS THEREOF USED IN MAGNETIC RECORDING MEDIA MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-05-14 EP claimed
US-5512651-A POLYESTERURETHANE COPOLYMER MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-04-30 US claimed
WO-1996004326-A1 STRONG CARBOXYLIC ACID FUNCTIONAL POLYURETHANE POLYMERS AND BLENDS THEREOF USED IN MAGNETIC RECORDING MEDIA MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-02-15 WO claimed
US-4981999-A Selective removal of chlorine from chlorophthalic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1991-01-01 US claimed
US-4888403-A CURING A MIXTURE OF OLIGOESTERIFIED WOODY MATERIAL AND AN OILGOMER OF AN UNSATURATED POLYESTER OKURA KOGYO KABUSHIKI KAISHA (JP) 1989-12-19 US claimed