SCHEMBL11041998

SCHEMBL11041998

O=C(OC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.50
F2 P00734 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 2/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
PARP1 P09874 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL11041995 0.87 TPMT (0.56) TPMTTSHRRXRARXRBMAPT
SCHEMBL2381182 0.86 PARP1 (0.55) F2LMNAKMT2ARAB9ANPSR1
SCHEMBL28027332 0.85 TPMT (0.44) TPMTF2LMNATSHRCNR1
SCHEMBL247591 0.83 CES2 (0.65) F2LMNATSHRCES2CES1
SCHEMBL432793 0.83 LMNA (0.45) F2LMNATSHRCNR1CNR2
SCHEMBL11766580 0.83 RXRA (0.54) TPMTCNR1CNR2RXRARXRB
Hydrogen Peroxide SCHEMBL27952375 0.82 LMNA (0.70) F2LMNATSHRCES2CES1
Benzene SCHEMBL27793442 0.82 LMNA (0.70) F2LMNATSHRCES2CES1
SCHEMBL52413 0.82 LMNA (0.70) F2LMNATSHRCES2CES1
SCHEMBL11557836 0.82 LMNA (0.48) F2LMNATSHRCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113372290-A Synthetic method of drug Tafamidis 遵义医科大学 2021-09-10 CN claimed
US-20180273819-A1 THERMAL ENERGY STORAGE PHASE AND TEMPERATURE STABILIZATION CHANGE MATERIALS COMPRISING TRIAMINES AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS LLC (US) 2018-09-27 US claimed
WO-2016179028-A1 THERMAL ENERGY STORAGE PHASE AND TEMPERATURE STABILIZATION CHANGE MATERIALS AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS, LLC. (US) 2016-11-10 WO claimed
CN-113372290-A Synthetic method of drug Tafamidis 遵义医科大学 2021-09-10 CN disclosed
US-20180273819-A1 THERMAL ENERGY STORAGE PHASE AND TEMPERATURE STABILIZATION CHANGE MATERIALS COMPRISING TRIAMINES AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS LLC (US) 2018-09-27 US disclosed
WO-2016179028-A1 THERMAL ENERGY STORAGE PHASE AND TEMPERATURE STABILIZATION CHANGE MATERIALS AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS, LLC. (US) 2016-11-10 WO disclosed
US-4456565-A BY REACTING ANHYDRIDE WITH ANHYDROUS HYDROCYANIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1984-06-26 US disclosed
US-4455264-A CYANATION OF AN ANHYDRIDE BAYER AKTIENGESELLSCHAFT (DE) 1984-06-19 US disclosed
US-4430503-A REACTING A CARBOXYLIC ANHYDRIDE AND TRIMETHYLSILYL CYANIDE BAYER AKTIENGESELLSCHAFT (DE) 1984-02-07 US disclosed
US-4360479-A Process for the preparation of acyl cyanide compounds BAYER AKTIENGESELLSCHAFT (DE) 1982-11-23 US disclosed
US-4284584-A REACTING AN ANHYDRIDE WITH AN ALKALI METAL CYANIDE BAYER AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed
US-4238412-A CYANATION OF THE ANHYDRIDE BAYER AKTIENGESELLSCHAFT (DE) 1980-12-09 US disclosed