SCHEMBL7944444

SCHEMBL7944444

COc1ccc(P(CCCCP(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA12 O43570 2/20 0.50
CA14 Q9ULX7 2/20 0.50
ACHE P22303 1/20 0.42
IDO1 P14902 2/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
CALM1 P0DP23 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2575971 0.95 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL17529683 0.92 CA12 (0.42) CA1CA2CA7CA9CA12
SCHEMBL3893710 0.91 CA1 (0.55) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL28443443 0.90 CA12 (0.41) CA1CA2CA7CA9CA12
SCHEMBL17529854 0.90 CA12 (0.41) CA1CA2CA7CA9CA12
SCHEMBL17529889 0.90 CA12 (0.41) CA1CA2CA7CA9CA12
SCHEMBL17529862 0.90 CA12 (0.41) CA1CA2CA7CA9CA12
SCHEMBL8161260 0.90 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL4652579 0.84 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL11320492 0.83 CA4 (0.43) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2735581-B1 COMPOSITION AND POLYMER ASAHI CHEMICAL IND (JP) 2021-07-14 EP disclosed
US-9738757-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-08-22 US disclosed
US-20160222168-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-08-04 US disclosed
US-9334371-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-05-10 US disclosed
EP-2735581-A1 COMPOSITION AND POLYMER Asahi Kasei Chemicals Corporation (JP) 2014-05-28 EP disclosed
US-20140121293-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-05-01 US disclosed
US-6268530-B1 SEPARATING LINEAR 5-FORMYLVALERIC ACID FROM MIXTURE OF 5- AND 3-AND/OR 4-BRANCHED FORMYLVALERIC ACIDS BY SEPARATING FRACTIONAL EXTRACTION WITH TWO IMMISCIBLE SOLVENTS DSM N.V. (NL) 2001-07-31 US disclosed
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 disclosed
EP-0836588-B1 PROCESS TO PREPARE 5-FORMYLVALERIC ACID DSM NV (NL) 2000-05-17 EP disclosed
US-6049005-A REACTING ALKOXYCARBONYL BUTENE WITH CARBON MONOXIDE IN THE PRESENCE OF CATATLYST COMPRISING PALLADIUM AND ORGANIC PHOSPHINE LIGAND DSM N.V. (NL) 2000-04-11 US disclosed
US-4835250-A GROUP 8 METAL COMPLEX CATALYST SHELL OIL COMPANY (US) 1989-05-30 US disclosed
US-4818810-A USING POLYMERIZATION CATALYST OF REACTION PRODUCT OF GROUP EIGHT COMPOUND, LIGAND AND ACID SHELL OIL COMPANY (US) 1989-04-04 US disclosed
EP-0293999-A2 Process for the coproduction of anilines and oxamides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-12-07 EP disclosed
EP-0181014-B1 PROCESS FOR THE PREPARATION OF POLYKETONES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-11-30 EP disclosed
EP-0293053-A2 Process for the preparation of cyclic carboxylic anhydrides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-11-30 EP disclosed
EP-0284170-A1 Process for the preparation of a diester of adipic acid SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-09-28 EP disclosed
US-4731487-A Process for the preparation of aldehydes SHELL OIL COMPANY (US) 1988-03-15 US disclosed
EP-0250037-A2 Process for the preparation of urea derivatives and catalyst system SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-12-23 EP disclosed
EP-0227160-A2 Process for the carbonylation of ethylenically unsaturated compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-07-01 EP disclosed
EP-0220767-A1 Process for the preparation of aldehydes SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-05-06 EP disclosed