Toluene

Toluene

SCHEMBL18394201

Cc1ccccc1.Cl[Si](Cl)(Cl)CCc1ccccc1

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALOX12 P18054 2/20 0.46
TSHR P16473 2/20 0.46
ACHE P22303 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR1 P21554 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39
PLAAT4 Q9UL19 1/20 0.39
SMN1; SMN2 Q16637 2/20 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
SCHEMBL208903 0.89 TDP1 (0.52) LMNAALOX12TSHRTDP1NPC1
SCHEMBL6532094 0.87 TDP1 (0.50) LMNAALOX12TSHRTDP1NPC1
SCHEMBL840528 0.85 CYP1A2 (0.50) LMNAACHETDP1NPC1RAB9A
Toluene SCHEMBL979656 0.83 ALDH1A1 (0.46) ACHETDP1NPC1POLBL3MBTL1
SCHEMBL5488915 0.82 TAAR1 (0.57) ACHECNR1TAAR1IDO1
SCHEMBL11216125 0.82 LMNA (0.48) LMNAALOX12TDP1NPC1RAB9A
Toluene SCHEMBL285099 0.79 ALOX12 (0.65) LMNAALOX12TSHRACHETDP1
SCHEMBL5493502 0.77 FFAR1 (0.48) LMNATSHRCNR1TAAR1CYP1A2
SCHEMBL6848455 0.77 CA2 (0.38) TDP1L3MBTL1ALDH1A1TAAR1CYP1A2
Phenylethyl Alcohol SCHEMBL9828009 0.76 TDP1 (0.76) LMNAALOX12TSHRACHETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9818946-B2 Film and organic semiconductor device containing the film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
CN-107266680-A Transistor and its manufacture method 纽多维有限公司 2017-10-20 CN disclosed
US-20170110665-A1 FILM AND ORGANIC SEMICONDUCTOR DEVICE CONTAINING THE FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 US disclosed
EP-3135726-A1 COMPOSITION AND POLYMER COMPOUND, AND ORGANIC SEMICONDUCTOR ELEMENT CONTAINING SAID COMPOSITION AND SAID POLYMER COMPOUND Sumitomo Chemical Company, Limited (JP) 2017-03-01 EP disclosed
US-20170025613-A1 COMPOSITION AND POLYMER COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE COMPRISING THE COMPOSITION OR THE POLYMER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-01-26 US disclosed
CN-103938195-B The method of alkyltrichlorosilanes class self-assembled monolayer is prepared at stainless steel surface ZHEJIANG UNIVERSITY (CN) 2016-04-13 CN disclosed