SCHEMBL614308

SCHEMBL614308

CCCCO[Si](Br)(OCCCC)OCCCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
CYP3A4 P08684 3/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 2/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 2/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
CYP2D6 P10635 1/20 0.31
CES2 O00748 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
SCHEMBL6435816 0.82
SCHEMBL613994 0.82 ADRB2 (0.41) TSHRADRB2ADRB1ADRB3CYP3A4
SCHEMBL613689 0.81 HSD17B10 (0.32)
SCHEMBL15121470 0.78 ADRB2 (0.38) TSHRADRB2ADRB1ADRB3CYP3A4
SCHEMBL9405048 0.76 ADRB2 (0.36) TSHRADRB2ADRB1ADRB3CYP3A4
SCHEMBL10348721 0.76 ADRB2 (0.36) TSHRADRB2ADRB1ADRB3CYP3A4
SCHEMBL10348707 0.76 ADRB2 (0.36) TSHRADRB2ADRB1ADRB3CYP3A4
SCHEMBL10348669 0.76 ADRB2 (0.36) TSHRADRB2ADRB1ADRB3CYP3A4
SCHEMBL49555 0.75 ADRB2 (0.45) TSHRADRB2ADRB1ADRB3CYP3A4
SCHEMBL4075267 0.75 ADRB2 (0.45) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790359-B2 Tread rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-10-17 US disclosed
EP-1238989-B1 Olefin polymerization catalyst and process for producing olefin polymer with the catalyst MITSUI CHEMICALS INC (JP) 2015-10-07 EP disclosed
US-20150099823-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2015-04-09 US disclosed
EP-2857446-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2015-04-08 EP disclosed
US-8299179-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-30 US disclosed
US-20120041136-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-6897176-B2 Olefin polymerization catalyst and process for producing olefin polymer with the catalyst MITSUI CHEMICALS, INC. (JP) 2005-05-24 US disclosed
US-20020169072-A1 Olefin polymerization catalyst and process for produing Olefin polymer with the catalyst MITSUI CHEMICALS, INC. (JP) 2002-11-14 US disclosed
EP-1238989-A2 Olefin polymerization catalyst and process for producing olefin polymer with the catalyst Mitsui Chemicals, Inc. (JP) 2002-09-11 EP disclosed
EP-0154867-B1 2-SUBSTITUTED-1,3-BUTADIENE DERIVATIVES AND PROCESS FOR PRODUCING SAME NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-05-02 EP disclosed
US-4677216-A 2-Substituted-1,3-butadiene derivatives and process for producing same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1987-06-30 US disclosed
EP-0154867-A1 2-Substituted-1,3-butadiene derivatives and process for producing same NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1985-09-18 EP disclosed