SCHEMBL1821242

SCHEMBL1821242

C=C(O)C(=O)OCC.C=CC(=O)OCCCCCC(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 9/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ HPGD P15428 1/20 0.47
▸ HCAR2 Q8TDS4 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ THRB P10828 2/20 0.35
▸ ESR1 P03372 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ RARB P10826 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL11825919 1.00 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL2841941 0.92 TSHR (0.43) TSHRALDH1A1CYP3A4HPGDHCAR2
Acrylic Acid Ethyl Ester SCHEMBL7225855 0.89 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL8396140 0.86 TSHR (0.45) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL25275191 0.85 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL25228041 0.85 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL7111058 0.85 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL25281286 0.85 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL20503422 0.85 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL673261 0.85 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641441-B1 TAMPER-RESISTANT TRANSDERMAL DOSAGE FORM COMPRISING AN ACTIVE AGENT COMPONENT AND AN ADVERSE AGENT COMPONENT AT THE DISTAL SITE OF THE ACTIVE AGENT LAYER PURDUE PHARMA LP (US) 2014-03-12 — — EP disclosed
EP-2319505-A1 TRANSDERMAL DOSAGE FORM COMPRISING AN ACTIVE AGENT COMPONENT AND AN ADVERSE AGENT COMPONENT IN A RATIO FROM 1:10 UP TO 10:1 Purdue Pharma L.P. (US) 2011-05-11 — — EP disclosed
EP-2316440-A1 Transdermal dosage form comprising an active agent component and an adverse agent component at the distal site of the active agent layer and one fluid communication between the surface of the active agent and the adverse agent Purdue Pharma L.P. (US) 2011-05-04 — — EP disclosed
EP-1641441-A2 TAMPER-RESISTANT TRANSDERMAL DOSAGE FORM COMPRISING AN ACTIVE AGENT COMPONENT AND AN ADVERSE AGENT COMPONENT AT THE DISTAL SITE OF THE ACTIVE AGENT LAYER Purdue Pharma Ltd. (US) 2006-04-05 — — EP disclosed
WO-2004098567-A2 TAMPER-RESISTANT TRANSDERMAL DOSAGE FORM COMPRISING AN ACTIVE AGENT COMPONENT AND AN ADVERSE AGENT COMPONENT AT THE DISTAL SITE OF THE ACTIVE AGENT LAYER PURDUE PHARMA L.P. (US) 2004-11-18 — — WO disclosed
EP-1322299-A2 COMPOSITION FOR THE TRANSDERMAL DELIVERY OF FENTANYL 3M Innovative Properties Company (US) 2003-07-02 — — EP disclosed
WO-2002026217-A2 COMPOSITION FOR THE TRANSDERMAL DELIVERY OF FENTANYL 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-04-04 — — WO disclosed
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