SCHEMBL4612951

SCHEMBL4612951

CC(C)(C)c1ccc(OP(Oc2cc3ccc(C(C)(C)C)cc3cc2C(C)(C)C)Oc2cc3ccc(C(C)(C)C)cc3cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
NR1I2 O75469 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
APEX1 P27695 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL29682572 0.95 NR1I2 (0.37) KCNH2NR1I2CA1CA2CA9
SCHEMBL29696267 0.95 NR1I2 (0.37) KCNH2NR1I2CA1CA2CA9
SCHEMBL2910870 0.95 NR1I2 (0.37) KCNH2NR1I2CA1CA2CA9
SCHEMBL9178398 0.92 TSHR (0.37) KCNH2NR1I2CA1CA2CA9
SCHEMBL9176124 0.91 NR1I2 (0.35) KCNH2NR1I2CA1CA2CA9
SCHEMBL9175256 0.90 ALDH1A1 (0.42) NR1I2CA1CA2CA9RARA
SCHEMBL4611876 0.90 KCNH2 (0.36) KCNH2NR1I2APEX1CYP2C19ALDH1A1
SCHEMBL11109290 0.90 NR1I2 (0.33) KCNH2NR1I2
SCHEMBL9171391 0.90 CYP1A2 (0.33) KCNH2APEX1KDM4EHPGD
SCHEMBL9170764 0.90 NR1I2 (0.34) KCNH2NR1I2CYP3A4ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1008580-B2 Process for preparing aldehydes and alcohols MITSUBISHI CHEM CORP (JP) 2008-10-29 EP disclosed
EP-1312598-B1 Process for producing aldehyde MITSUBISHI CHEM CORP (JP) 2005-02-16 EP disclosed
EP-1008581-B1 Process for producing aldehyde MITSUBISHI CHEM CORP (JP) 2004-04-21 EP disclosed
US-6610891-B1 Reduces degradation or decomposition of catalyst MITSUBISHI CHEMICAL CORPORATION (JP) 2003-08-26 US disclosed
US-6583324-B2 By hydroformylation with rhodium complex catalyst containing an organic phosphite ligand; preventing catalyst poisoning by having the aldehyde remain in the catalyst solution in the separation step MITSUBISHI CHEMICAL CORPORATION (JP) 2003-06-24 US disclosed
EP-1312598-A1 Process for producing aldehyde MITSUBISHI CHEMICAL CORPORATION (JP) 2003-05-21 EP disclosed
EP-1008580-B1 Process for preparing aldehydes and alcohols MITSUBISHI CHEM CORP (JP) 2003-02-26 EP disclosed
US-6291717-B1 REACTING OLEFINIC COMPOUND WITH CARBON MONOXIDE AND HYDROGEN IN THE PRESENCE OF A RHODIUM COMPLEX CATALYST COMPRISING RHODIUM AND ORGANIC PHOSPHITE IN REACTION ZONE; SEPARATING CATALYST AND ALDEHYDE; RECYCLING CATALYST SOLUTION MITSUBISHI CHEMICAL CORPORATION (JP) 2001-09-18 US disclosed
EP-1008581-A1 Process for producing aldehyde MITSUBISHI CHEMICAL CORPORATION (JP) 2000-06-14 EP disclosed
EP-1008580-A1 Process for preparing aldehydes and alcohols MITSUBISHI CHEMICAL CORPORATION (JP) 2000-06-14 EP disclosed
US-5672766-A REACTING OLEFIN WITH CARBON MONOXIDE AND HYDROGEN IN THE PRESENCE OF A RHODIUM COMPLEX CATALYST MITSUBISHI CHEMICAL CORPORATION (JP) 1997-09-30 US disclosed
US-5648554-A GROUP 8 METAL PHOSPHITE COMPLEX CATALYST MITSUBISHI CHEMICAL CORPORATION (JP) 1997-07-15 US disclosed
EP-0503564-B1 Method for producing an aldehyde MITSUBISHI CHEM CORP (JP) 1995-06-14 EP disclosed
US-5306839-A Ligands for hydroformylation catalysts MITSUBISHI KASEI CORPORATION (JP) 1994-04-26 US disclosed
US-5227532-A Hydroformylation of olefin, rhodium catalyst, phosphite promoter MITSUBISHI KASEI CORPORATION (JP) 1993-07-13 US disclosed
EP-0503564-A2 Method for producing an aldehyde Mitsubishi Chemical Corporation (JP) 1992-09-16 EP disclosed