SCHEMBL56496

SCHEMBL56496

C=C(C)C(=O)OCC(O)COCCCCOCC(O)COC(=O)C(=C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
THRB P10828 1/20 0.46
LPAR5 Q9H1C0 1/20 0.41
USP2 O75604 2/20 0.41
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.36
PLA2G2C Q5R387 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
SPHK1 Q9NYA1 1/20 0.33
P2RY10 O00398 1/20 0.33

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
SCHEMBL3410733 0.98 TSHR (0.52) TSHRTHRBLPAR5USP2HTT
SCHEMBL15870307 0.98 TSHR (0.52) TSHRTHRBLPAR5USP2HTT
SCHEMBL996289 0.96 TSHR (0.53) TSHRTHRBLPAR5USP2HTT
SCHEMBL20635775 0.95 TSHR (0.49) TSHRTHRBLPAR5USP2HTT
SCHEMBL410388 0.94 TSHR (0.60) TSHRTHRBLPAR5USP2HTT
SCHEMBL144844 0.93 TSHR (0.57) TSHRTHRBLPAR5USP2HTT
SCHEMBL25134171 0.92 TSHR (0.63) TSHRTHRBLPAR5USP2HTT
SCHEMBL28886809 0.92 TSHR (0.63) TSHRTHRBLPAR5USP2HTT
SCHEMBL2713012 0.92 TSHR (0.53) TSHRTHRBLPAR5USP2HTT
SCHEMBL9420231 0.92 TSHR (0.49) TSHRTHRBLPAR5USP2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413174-B1 DENTAL ADHESIVE COMPOSITION MITSUBISHI RAYON CO., LTD. (JP) 1993-10-06 EP claimed
EP-0468077-A1 Dental adhesive MITSUBISHI RAYON CO., LTD. (JP) 1992-01-29 EP claimed
EP-0413174-A2 Dental adhesive composition MITSUBISHI RAYON CO., LTD. (JP) 1991-02-20 EP claimed
EP-3541881-B1 FLEXIBLE HARDCOAT COMPRISING URETHANE OLIGOMER HYDROGEN BONDED TO AN ACRYLIC POLYMER 3M INNOVATIVE PROPERTIES COMPANY (US) 2026-02-18 EP disclosed
EP-3649099-B1 EPOXY METHACRYLATE COMPOUNDS AND THEIR USE HILTI AG (LI) 2023-06-07 EP disclosed
US-11655320-B2 Mixture of radically curable compounds and use thereof HILTI AKTIENGESELLSCHAFT (LI) 2023-05-23 US disclosed
US-11655320-B2 Mixture of radically curable compounds and use thereof HILTI AKTIENGESELLSCHAFT (LI) 2023-05-23 US disclosed
EP-3649167-B1 MIXTURE OF RADICAL CURABLE COMPOUNDS AND THEIR USE HILTI AG (LI) 2021-05-26 EP disclosed
EP-2862706-B1 LAMINATE MITSUBISHI CHEM CORP (JP) 2020-12-23 EP disclosed
US-20200354495-A1 Mixture of radically curable compounds and use thereof HILTI AKTIENGESELLSCHAFT (LI) 2020-11-12 US disclosed
US-10829578-B2 Mixture of radically curable compounds and use thereof HILTI AKTIENGESELLSCHAFT (LI) 2020-11-10 US disclosed
US-4515930-A DENTISTRY KURARAY CO., LTD. (JP) 1985-05-07 US disclosed
US-4500629-A Method of forming images from liquid masses CIBA-GEIGY CORPORATION (US) 1985-02-19 US disclosed
US-4499251-A COATING A TOOTH WITH A UNSATURATED DISPHOSPHATE AND CURING AGENT; FILLING KURARAY CO., LTD. (JP) 1985-02-12 US disclosed
EP-0119959-A1 Process for producing images CIBA-GEIGY AG (CH) 1984-09-26 EP disclosed
EP-0115948-A1 Adhesive composition KURARAY CO., LTD. (JP) 1984-08-15 EP disclosed
EP-0115410-A2 Adhesive compositions KURARAY CO., LTD. (JP) 1984-08-08 EP disclosed
EP-0102921-A2 Process for making images from liquid substances CIBA-GEIGY AG (CH) 1984-03-14 EP disclosed
EP-0074708-A2 Adhesive composition KURARAY CO., LTD. (JP) 1983-03-23 EP disclosed
US-4302381-A Dental material KURARAY CO., LTD. (JP) 1981-11-24 US disclosed