SCHEMBL3794010

SCHEMBL3794010

CCCCOB(OCC)OCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
CYP3A4 P08684 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 2/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL8777485 1.00 TSHR (0.40) TSHRADRB2ADRB1ADRB3CYP3A4
SCHEMBL50476 0.91 ADRB2 (0.45) TSHRADRB2ADRB1ADRB3CYP3A4
SCHEMBL20224725 0.91 ADRB2 (0.45) TSHRADRB2ADRB1ADRB3CYP3A4
SCHEMBL245354 0.91 ADRB2 (0.45) TSHRADRB2ADRB1ADRB3CYP3A4
SCHEMBL8727179 0.91 ADRB2 (0.45) TSHRADRB2ADRB1ADRB3CYP3A4
SCHEMBL31167985 0.90 THRB (0.43) TSHRALDH1A1CA1CA2THRB
SCHEMBL8727171 0.88 ADRB2 (0.43) TSHRADRB2ADRB1ADRB3CYP3A4
Ammonia Solution, Strong SCHEMBL28517868 0.88 ADRB2 (0.43) TSHRADRB2ADRB1ADRB3CYP3A4
SCHEMBL11586592 0.88 ADRB2 (0.43) TSHRADRB2ADRB1ADRB3CYP3A4
SCHEMBL28919521 0.88 ADRB2 (0.43) TSHRADRB2ADRB1ADRB3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100326834-A1 METHOD FOR THE ELECTROCHEMICAL DEPOSITION OF CARBON NANOTUBES E. I. DU PONT DE NEMOURS AND COMPANY 2010-12-30 US disclosed
WO-2009111290-A2 METHOD FOR THE ELECTROCHEMICAL DEPOSITION OF CARBON NANOTUBES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-09-11 WO disclosed
EP-0922708-B1 Production method of borate compounds SHOWA DENKO KK (JP) 2003-05-14 EP disclosed
US-6002044-A REACTING A LITHIUM OR MAGNEISIUM, A HALIDE AND A BORONATE PRECURSOR OBTAINED IN A FIRSST SIMILAR STEP USING A BORIDE; ADDING AN ONIIUM HALIDE TO THE METAL BORATE; PURITY SHOWA DENKO K.K. (JP) 1999-12-14 US disclosed
EP-0922708-A2 Production method of borate compounds SHOWA DENKO KABUSHIKI KAISHA (JP) 1999-06-16 EP disclosed
EP-0197311-B1 PROCESS FOR POLYMERIZING ETHYLENE MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1991-12-18 EP disclosed
US-4762898-A Process for polymerizing ethylene MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) 1988-08-09 US disclosed
EP-0197311-A2 Process for polymerizing ethylene MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1986-10-15 EP disclosed