SCHEMBL1378620

SCHEMBL1378620

C=CC(C)OCCCCC

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.42
ALDH1A1 P00352 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TSHR P16473 3/20 0.36
HPGD P15428 1/20 0.33
LPAR1 Q92633 4/20 0.33
LPAR3 Q9UBY5 4/20 0.33
LPAR2 Q9HBW0 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
SCHEMBL10494286 0.98 DNM1 (0.45) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL5073007 0.98 DNM1 (0.45) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL27668890 0.98 DNM1 (0.45) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL14232137 0.98 DNM1 (0.45) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL822765 0.93
SCHEMBL7563361 0.88 HTT (0.44) TSHR
SCHEMBL7563360 0.84 DNM1 (0.37) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL8062567 0.83
SCHEMBL8036668 0.82 DNM1 (0.42) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL23781981 0.81 TSHR (0.40) ALDH1A1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4651945-B2 2011-03-16 JP claimed
EP-1501361-B1 3-HETEROARYL SUBSTITUTED 5-METHYLOXYMETHYL ISOXAZOLINES USED AS HERBICIDES BASF SE (DE) 2009-09-30 EP claimed
JP-2005532297-A 2005-10-27 JP claimed
EP-1501361-A1 3-HETEROARYL SUBSTITUTED 5-METHYLOXYMETHYL ISOXAZOLINES USED AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2005-02-02 EP claimed
WO-2003090539-A1 3-HETEROARYL SUBSTITUTED 5-METHYLOXYMETHYL ISOXAZOLINES USED AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-11-06 WO claimed
US-6175036-B1 CATALYZING THE CARBOXYLATION OF AN ALKOXY-BUTENE WITH CARBON MONOXIDE IN THE PRESENCE OF A CATALYST SYSTEM COMPRISING PALLADIUM, A PHOSPHORUS LIGAND AND AN ACID PROMOTOR DSM N.V. (NL) 2001-01-16 US claimed
EP-0975574-A1 PROCESS TO PREPARE A PENTENOIC ACID DERIVATIVE DSM N.V. (NL) 2000-02-02 EP claimed
WO-1998038151-A1 PROCESS TO PREPARE A PENTENOIC ACID DERIVATIVE DSM N.V. (NL) 1998-09-03 WO claimed
CN-118355079-A Resin composition, cleaning agent using same, and cleaning method for molding machine 株式会社可乐丽 2024-07-16 CN disclosed
WO-2024128307-A1 METHOD FOR MANUFACTURING ETHYLENE-VINYL ALCOHOL COPOLYMER RESIN COMPOSITION PELLETS 株式会社クラレ 2024-06-20 WO disclosed
CN-118043396-A Resin composition, molded article, multilayer structure, thermoformed container, blow molded container, and vapor deposition film 株式会社可乐丽 2024-05-14 CN disclosed
CN-118019642-A Multilayer structure, separation method and reuse method thereof 株式会社可乐丽 2024-05-10 CN disclosed
CN-115715308-B Gas barrier resin composition, method for producing gas barrier resin composition, and molded article 株式会社可乐丽 2024-04-09 CN disclosed
US-20240110052-A1 Resin Pellet Group and Layer Structure Using Same KURARAY CO., LTD. (JP) 2024-04-04 US disclosed
EP-0975574-A1 PROCESS TO PREPARE A PENTENOIC ACID DERIVATIVE DSM N.V. (NL) 2000-02-02 EP disclosed
EP-0975574-A1 PROCESS TO PREPARE A PENTENOIC ACID DERIVATIVE DSM N.V. (NL) 2000-02-02 EP disclosed
EP-0918048-A1 A novel monomer and a polymer obtained therefrom Wako Pure Chemical Industries, Ltd. (JP) 1999-05-26 EP disclosed
EP-0887706-A1 Resist composition containing specific cross-linking agent WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 1998-12-30 EP disclosed
WO-1998038151-A1 PROCESS TO PREPARE A PENTENOIC ACID DERIVATIVE DSM N.V. (NL) 1998-09-03 WO disclosed
WO-1998038151-A1 PROCESS TO PREPARE A PENTENOIC ACID DERIVATIVE DSM N.V. (NL) 1998-09-03 WO disclosed