SCHEMBL5027328

SCHEMBL5027328

C=CC(=O)OC(O)C(C)CCCC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
HPGD P15428 1/20 0.47
THRB P10828 3/20 0.37
CTSK P43235 4/20 0.36
MAPT P10636 1/20 0.35
ABCB1 P08183 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
LMNA P02545 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
THRA P10827 1/20 0.34

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
SCHEMBL23494192 0.86 TSHR (0.50) TSHRHPGDTHRBCTSKALDH1A1
SCHEMBL29207095 0.83 TSHR (0.47) TSHRHPGDTHRBCTSKMAPT
SCHEMBL1123116 0.81 TSHR (0.53) TSHRHPGDTHRBCTSKALDH1A1
SCHEMBL185499 0.81 TSHR (0.53) TSHRHPGDTHRBCTSKALDH1A1
SCHEMBL10398482 0.81 TSHR (0.49) TSHRHPGDTHRBCTSKMAPT
SCHEMBL8965496 0.81 TSHR (0.50) TSHRHPGDTHRBABCB1ALDH1A1
SCHEMBL6290783 0.81 TSHR (0.53) TSHRHPGDTHRBCTSKALDH1A1
Ethylene SCHEMBL28845826 0.80 TSHR (0.51) TSHRHPGDTHRBCTSKALDH1A1
SCHEMBL11032303 0.80 TSHR (0.51) TSHRHPGDTHRBCTSKALDH1A1
SCHEMBL29143535 0.80 TSHR (0.51) TSHRHPGDTHRBCTSKALDH1A1

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
WO-2008110651-A1 TERNARY CATALYST OF PT-RU-MEOX (ME = MO, W, V) ON CARBON WITH HIGH CO TOLERANCE IN FUEL CELL ANODES AND PREPARATION METHOD THEREOF CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2008-09-18 WO disclosed
US-7425525-B2 Washing solution for inkjet printer head and washing method using the solution TOSHIBA TEC KABUSHIKI KAISHA (JP) 2008-09-16 US disclosed
EP-1621348-A1 Washing solution for inkjet printer head and washing method using the solution Toshiba Tec Kabushiki Kaisha (JP) 2006-02-01 EP disclosed
US-20060017769-A1 Washing solution for inkjet printer head and washing method using the solution TOSHIBA TEC KABUSHIKI KAISHA (JP) 2006-01-26 US disclosed