SCHEMBL9533464

SCHEMBL9533464

CN(C)CCOP(OCCN(C)C)OCCN(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
CA12 O43570 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CA1 P00915 2/20 0.37
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL11831916 0.97 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20924767 0.86 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19708014 0.86 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15155494 0.82 ALDH1A1 (0.45) ALDH1A1TP53TSHRHRH3KDM4E
SCHEMBL29350415 0.79
SCHEMBL19708012 0.78 DNM1 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3032685 0.77 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19480772 0.75
SCHEMBL24172200 0.71 DNM1 (0.56) ALDH1A1TSHRKDM4ESMN1; SMN2DNM1
SCHEMBL18746537 0.71 ALDH1A1 (0.39) ALDH1A1TSHRHRH3CYP1A2CYP2D6

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
WO-2013113822-A2 OZONE SCAVENGERS FOR NUCLEIC ACID HYBRIDIZATION EXPERIMENTS ROCHE DIAGNOSTICS GMBH (DE) 2013-08-08 WO disclosed
EP-0429963-B1 METHOD FOR RECOVERING A GROUP VIII METAL SOLID COMPLEX AND HYDROFORMYLATION METHOD MITSUBISHI KASEI CORPORATION (JP) 1993-03-17 EP disclosed
US-5099047-A Precipitation in the presence of trialkylphosphine MITSUBISHI KASEI CORPORATION (JP) 1992-03-24 US disclosed
EP-0349358-B1 PROCESS FOR PRESULFIDING AND CONTROLLING THE ACTIVITY OF A HYDROCARBON TREATMENT CATALYST EURECAT EUROPEENNE DE RETRAITEMENT DE CATALYSEURS (FR) 1992-03-04 EP disclosed
US-4983559-A CATALYTIC REGENERATION EUROPEENE DE RETRAITEMENT DE CATALYSEURS EURECAT (FR) 1991-01-08 US disclosed
EP-0349358-A1 Process for presulfiding and controlling the activity of a hydrocarbon treatment catalyst EURECAT EUROPEENNE DE RETRAITEMENT DE CATALYSEURS (FR) 1990-01-03 EP disclosed
US-4317936-A CATIONIC OR ANIONIC ION EXCHANGE RESINS MODIFIED BY A GROUP 8 METAL AND A HETRATOM-CONTAINING COMPOUND SHELL OIL COMPANY (US) 1982-03-02 US disclosed
US-4306085-A Hydroformylation process using resin-ligand-metal catalyst SHELL OIL COMPANY (US) 1981-12-15 US disclosed
US-4284835-A METAL COMPLEX CATALYST BOUND TO RESIN SHELL OIL COMPANY (US) 1981-08-18 US disclosed
US-4266085-A Olefin disproportionation process SHELL OIL COMPANY (US) 1981-05-05 US disclosed
US-4179402-A Resin-metal-ligand composition SHELL OIL COMPANY (US) 1979-12-18 US disclosed
US-4179403-A Resin-ligand-metal complex compositions SHELL OIL COMPANY (US) 1979-12-18 US disclosed
US-4012399-A ULTRAVIOLET LIGHT ABSORBERS AND STABILIZERS CINCINNATI MILACRON CHEMICALS, INC. (US) 1977-03-15 US disclosed
US-3959220-A Polymer additives comprising transition metal complexes with trivalent phosphorous compounds CINCINNATI MILACRON CHEMICALS, INC. (US) 1976-05-25 US disclosed