SCHEMBL613994

SCHEMBL613994

CCCCO[Si](Br)(Br)OCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
TSHR P16473 6/20 0.36
CYP3A4 P08684 3/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.32
THRB P10828 1/20 0.32
CYP2D6 P10635 1/20 0.31
HPGD P15428 3/20 0.30
RECQL P46063 2/20 0.30
GLA P06280 1/20 0.30
MAPK1 P28482 1/20 0.30
EPHX2 P34913 1/20 0.30
BLM P54132 1/20 0.30
GBA1 P04062 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
SCHEMBL9405048 0.92 ADRB2 (0.36) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL6435816 0.82
SCHEMBL614308 0.82 TSHR (0.42) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL614200 0.81
SCHEMBL15121470 0.78 ADRB2 (0.38) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL613643 0.77 ADRB2 (0.41) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL10348707 0.76 ADRB2 (0.36) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL10348721 0.76 ADRB2 (0.36) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL10348669 0.76 ADRB2 (0.36) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL49555 0.75 ADRB2 (0.45) ADRB2ADRB1ADRB3TSHRCYP3A4

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 9 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
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-5122490-A Composed of organomagesium compounds, titanium and vanadium halides, alcohols, halogenated silanes, siloxanes, borates, electron donors and cyclic ether CHISSO CORPORATION (JP) 1992-06-16 US 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