SCHEMBL8850591

SCHEMBL8850591

C=C(C)C(=O)OCC(CCC)(CCCC)COC(=O)C(=C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
THRB P10828 1/20 0.41
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL8850908 0.96 TSHR (0.55) TSHRTHRBALDH1A1LMNAHSD17B10
SCHEMBL9186435 0.93 TSHR (0.55) TSHRTHRBALDH1A1LMNAHSD17B10
SCHEMBL8851060 0.93 TSHR (0.48) TSHRTHRBALDH1A1LMNAHSD17B10
SCHEMBL268165 0.90 TSHR (0.51) TSHRTHRBALDH1A1LMNAHSD17B10
SCHEMBL2245821 0.89 TSHR (0.48) TSHRTHRBALDH1A1LMNAHSD17B10
Propanol SCHEMBL9227279 0.88 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11023010 0.88 TSHR (0.58) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL10401172 0.86 TSHR (0.61) TSHRTHRBALDH1A1MEN1MAPT
SCHEMBL8850423 0.86 TSHR (0.46) TSHRTHRBALDH1A1LMNAHSD17B10
SCHEMBL153197 0.85 TSHR (0.47) TSHRTHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661307-B1 Transparent resin and plastic lens HITACHI CHEMICAL CO LTD (JP) 1997-10-15 EP disclosed
US-5663264-A OF A COPOLYMER CONTAINING AN ALKYLENE OXIDE MONOMER, A POLYFUNCTIONAL (METH)ACRYLATE MONOMER AND A VINYL MONOMER HITACHI CHEMICAL COMPANY, LTD. (JP) 1997-09-02 US disclosed
US-5583191-A FORMED OF TRANSPARENT RESIN OBTAINED BY POLYMERIZING MONOMER HAVING ALKYLENE OXIDE GROUP, POLYFUNCTIONAL (METH)ACRYLATE HAVING DIVALENT BRANCED HYDROCARBON GROUP, OPTIONAL ADDITIONAL VINYL MONOMER; HEAT RESISTANCE HITACHI CHEMICAL COMPANY, LTD. (JP) 1996-12-10 US disclosed
EP-0661307-A2 Transparent resin and plastic lens HITACHI CHEMICAL CO., LTD. (JP) 1995-07-05 EP disclosed