SCHEMBL2841941

SCHEMBL2841941

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 9/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HPGD P15428 1/20 0.40
▸ HCAR2 Q8TDS4 2/20 0.32
▸ TP53 P04637 2/20 0.31
▸ HIF1A Q16665 2/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ THRB P10828 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
SCHEMBL11825919 0.92 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL1821242 0.92 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL28503182 0.88 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDHCAR2
Methacrylic Acid SCHEMBL31475557 0.87 TSHR (0.49) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL9250677 0.81 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDHCAR2
Acrylic Acid Ethyl Ester SCHEMBL7225855 0.81 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDHCAR2
Methacrylic Acid SCHEMBL28483972 0.81 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDHCAR2
Acetic Acid SCHEMBL27421081 0.80 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL6132983 0.80 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL8396140 0.79 TSHR (0.45) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2153828-B1 Composition for the Transdermal Delivery of Fentanyl 3M INNOVATIVE PROPERTIES CO (US) 2017-01-18 — — EP disclosed
EP-2158905-B1 Composition for the Transdermal Delivery of Fentanyl 3M INNOVATIVE PROPERTIES CO (US) 2013-03-20 — — EP disclosed
EP-2266547-A1 Composition for the transdermal delivery of fentanyl 3M Innovative Properties Co. (US) 2010-12-29 — — EP disclosed
EP-2158904-A2 Composition for the Transdermal Delivery of Fentanyl 3M Innovative Properties Company (US) 2010-03-03 — — EP disclosed
EP-2158905-A2 Composition for the Transdermal Delivery of Fentanyl 3M Innovative Properties Company (US) 2010-03-03 — — EP disclosed
EP-2153828-A2 Composition for the Transdermal Delivery of Fentanyl 3M Innovative Properties Company (US) 2010-02-17 — — EP disclosed
EP-2153827-A2 Composition for the Transdermal Delivery of Fentanyl 3M Innovative Properties Company (US) 2010-02-17 — — EP disclosed
EP-1322299-B1 COMPOSITION FOR THE TRANSDERMAL DELIVERY OF FENTANYL 3M INNOVATIVE PROPERTIES CO (US) 2009-11-25 — — EP disclosed
US-20060222691-A1 COMPOSITION FOR THE TRANSDERMAL DELIVERY OF FENTANYL 3M INNOVATIVE PROPERTIES COMPANY, A DELAWARE CORPORATION 2006-10-05 — — US disclosed
EP-1684734-A2 OLANZAPINE CONTAINING TRANSDERMAL DRUG DELIVERY COMPOSITIONS 3M Innovative Properties Company (US) 2006-08-02 — — EP disclosed
WO-2005049090-A2 OLANZAPINE CONTAINING TRANSDERMAL DRUG DELIVERY COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-02 — — WO disclosed
EP-1322299-A2 COMPOSITION FOR THE TRANSDERMAL DELIVERY OF FENTANYL 3M Innovative Properties Company (US) 2003-07-02 — — EP disclosed
US-20020119187-A1 Composition for the transdermal delivery of fentanyl 3M INNOVATIVE PROPERTIES COMPANY 2002-08-29 — — US 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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