SCHEMBL524918

SCHEMBL524918

C=C(C)C(=O)OCC(O)CO.C=CC(=O)OCCCCO

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.43
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.35
DUSP3 P51452 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DGKA P23743 1/20 0.33
THRB P10828 1/20 0.33
FAAH O00519 2/20 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
SCHEMBL7745650 0.96 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5606160 0.87 TSHR (0.49) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL31323791 0.86 TSHR (0.42) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8067773 0.86 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
1,4-Butanediol SCHEMBL22607675 0.86 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDKDM4E
SCHEMBL9334710 0.85 TSHR (0.41) TSHRALDH1A1CYP3A4HPGDTP53
Methacrylic Acid SCHEMBL524919 0.85 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8862241 0.85 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4957285 0.85 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDKDM4E
SCHEMBL5835513 0.84 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12038555-B2 Cationic contact lens COOPERVISION INTERNATIONAL LIMITED (GB) 2024-07-16 US disclosed
EP-4398004-A2 CATIONIC CONTACT LENS CooperVision International Limited (GB) 2024-07-10 EP disclosed
EP-4208741-B1 CATIONIC CONTACT LENS COOPERVISION INT LTD (GB) 2024-04-24 EP disclosed
US-20230408728-A1 CATIONIC CONTACT LENS COOPERVISION INTERNATIONAL LIMITED (GB) 2023-12-21 US disclosed
WO-2023242552-A1 CATIONIC CONTACT LENS COOPERVISION INTERNATIONAL LIMITED (GB) 2023-12-21 WO disclosed
EP-4208741-A1 CATIONIC CONTACT LENS CooperVision International Limited (GB) 2023-07-12 EP disclosed
CN-116391140-A Cationic contact lens 库博光学国际有限公司 2023-07-04 CN disclosed
WO-2022129871-A1 CATIONIC CONTACT LENS COOPERVISION INTERNATIONAL LIMITED (GB) 2022-06-23 WO disclosed
US-20220183433-A1 CATIONIC CONTACT LENS COOPERVISION INTERNATIONAL LIMITED (GB) 2022-06-16 US disclosed
EP-2681252-B1 SILICONE HYDROGEL CONTACT LENSES COOPERVISION INT HOLDING CO LP (BB) 2020-04-01 EP disclosed
US-20120220744-A1 Wettable Silicone Hydrogel Contact Lenses COOPERVISION INTERNATIONAL HOLDING COMPANY, LP (BB) 2012-08-30 US disclosed
US-20120220688-A1 Phosphine-Containing Hydrogel Contact Lenses COOPERVISION INTERNATIONAL HOLDING COMPANY, LP (BB) 2012-08-30 US disclosed
US-20120218509-A1 Silicone Hydrogel Contact Lenses COOPERVISION INTERNATIONAL HOLDING COMPANY, LP (BB) 2012-08-30 US disclosed
US-20120216489-A1 Silicone Hydrogel Contact Lenses With High Freezable Water Content COOPERVISION INTERNATIONAL HOLDING COMPANY, LP (BB) 2012-08-30 US disclosed
US-20120220743-A1 Dimensionally Stable Silicone Hydrogel Contact Lenses COOPERVISION INTERNATIONAL HOLDING COMPANY, LP (BB) 2012-08-30 US disclosed
US-20120220690-A1 Silicone Hydrogel Contact Lenses Having Acceptable Levels Of Energy Loss COOPERVISION INTERNATIONAL HOLDING COMPANY, LP (BB) 2012-08-30 US disclosed
US-20120216488-A1 Silicone Hydrogel Contact Lenses And Related Compositions And Methods COOPERVISION INTERNATIONAL HOLDING COMPANY, LP (BB) 2012-08-30 US disclosed
EP-2492720-A1 Wettable Silicone Hydrogel Contact Lenses CooperVision International Holding Company, LP (BB) 2012-08-29 EP disclosed
EP-2492719-A1 Dimensionally stable silicone hydrogel contact lenses CooperVision International Holding Company, LP (BB) 2012-08-29 EP disclosed
WO-2012013947-A1 SILICONE HYDROGEL OPHTHALMIC DEVICES MOLDED IN VINYL ALCOHOL COPOLYMER MOLDS AND RELATED METHODS GOODENOUGH NEIL (GB) 2012-02-02 WO disclosed