Toluene

Toluene

SCHEMBL5070511

C1CCOCC1.C1CCOCC1.Cc1ccccc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.55
ACHE P22303 3/20 0.55
TSHR P16473 1/20 0.55
ALOX12 P18054 1/20 0.55
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
CRHBP P24387 2/20 0.37
CRHR2 Q13324 2/20 0.37
HTT P42858 1/20 0.37
ORAI1 Q96D31 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
ORAI3 Q9BRQ5 1/20 0.36
TRPV6 Q9H1D0 1/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
Toluene SCHEMBL27277002 1.00 LMNA (0.55) LMNAACHETSHRALOX12ALDH1A1
Toluene SCHEMBL10611917 1.00 LMNA (0.55) LMNAACHETSHRALOX12ALDH1A1
Toluene SCHEMBL7754116 1.00 LMNA (0.55) LMNAACHETSHRALOX12ALDH1A1
Toluene SCHEMBL27279839 0.98 LMNA (0.52) LMNAACHETSHRALOX12ALDH1A1
Toluene SCHEMBL9640920 0.97 LMNA (0.58) LMNAACHETSHRALOX12ALDH1A1
Toluene SCHEMBL27542416 0.97 LMNA (0.58) LMNAACHETSHRALOX12ALDH1A1
Toluene SCHEMBL9640890 0.97 LMNA (0.58) LMNAACHETSHRALOX12ALDH1A1
Toluene SCHEMBL190031 0.97 LMNA (0.58) LMNAACHETSHRALOX12ALDH1A1
Toluene SCHEMBL7754119 0.95 LMNA (0.55) LMNAACHETSHRALOX12ALDH1A1
Toluene SCHEMBL28323002 0.95 LMNA (0.55) LMNAACHETSHRALOX12ALDH1A1

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023219521-A1 NEW 2-(DIETHYLAMINO)-4,6-DIPHENYLBENZENE-1,3-CARBONITRILE DERIVATIVES, METHOD OF THEIR PRODUCTION, THEIR USE AND NEW PHOTOINITIATING SYSTEMS FOR PHOTOINITIATED CATIONIC, RADICAL, THIOL-ENE AND HYBRID POLYMERIZATION Politechnika Krakowska im. Tadeusza Kościuszki (PL) 2023-11-16 WO claimed
CN-111620850-A Preparation method of 1- (3-chloropyridine-2-yl) -3-bromo-1H-pyrazole-5-formic ether 江苏七洲绿色化工股份有限公司 2020-09-04 CN claimed
CN-117924285-A Pharmaceutically effective compounds for selectively inhibiting myosin 2 isoforms 普林特商业服务有限公司 2024-04-26 CN disclosed
WO-2023219521-A1 NEW 2-(DIETHYLAMINO)-4,6-DIPHENYLBENZENE-1,3-CARBONITRILE DERIVATIVES, METHOD OF THEIR PRODUCTION, THEIR USE AND NEW PHOTOINITIATING SYSTEMS FOR PHOTOINITIATED CATIONIC, RADICAL, THIOL-ENE AND HYBRID POLYMERIZATION Politechnika Krakowska im. Tadeusza Kościuszki (PL) 2023-11-16 WO disclosed
CN-115279370-A Compounds for targeted degradation of BRD9 C4医药公司 2022-11-01 CN disclosed
CN-111362966-B Bicyclic heterocyclic derivatives as IRAK4 inhibitors 奥列基因发现技术有限公司 2022-03-11 CN disclosed
CN-111620850-B Preparation method of 1- (3-chloropyridine-2-yl) -3-bromo-1H-pyrazole-5-formic ether 江苏七洲绿色化工股份有限公司 2021-06-29 CN disclosed
CN-107922407-B Respiratory syncytial virus inhibitors 勃林格殷格翰国际有限公司 2020-09-25 CN disclosed
CN-111620850-A Preparation method of 1- (3-chloropyridine-2-yl) -3-bromo-1H-pyrazole-5-formic ether 江苏七洲绿色化工股份有限公司 2020-09-04 CN disclosed
CN-111448205-A Vaccine against klebsiella pneumoniae 瓦希隆股份公司 2020-07-24 CN disclosed
CN-111362966-A Bicyclic heterocyclic derivatives as IRAK4 inhibitors 奥列基因发现技术有限公司 2020-07-03 CN disclosed
WO-1983004021-A1 2,3,4-TRINOR-1,5-INTER-M-PHENYLENE-PROSTACYCLINE-I2 ANALOGUES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) 1983-11-24 WO disclosed
US-4410527-A ANTIULCER AGENTS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-10-18 US disclosed
US-4382031-A Intermediates for the preparation of biotin HOFFMANN-LA ROCHE INC. (US) 1983-05-03 US disclosed
US-4320056-A Certain thia-diazatricyclo[3,3,3,08,11 ]tridecanes, and their preparation HOFFMANN-LA ROCHE INC. (US) 1982-03-16 US disclosed
US-4284557-A Intermediate racemates for the preparation of biotin and a process for their preparation HOFFMANN-LA ROCHE INC. (US) 1981-08-18 US disclosed
US-4255330-A CYCLIZATION IN THE PRESENCE OF A STRONG BASE AND A METAL COMPLEX MERCK & CO., INC. (US) 1981-03-10 US disclosed
US-4247704-A Hexahydro thieno imadazole intermediates for the synthesis of biotin HOFFMANN-LA ROCHE INC. (US) 1981-01-27 US disclosed
EP-0019788-A2 Novel process for the manufacture of thiophene derivatives suited for the manufacture of biotin, process for the manufacture of biotin and novel intermediates in this process F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-12-10 EP disclosed
US-4123555-A Sulfide compounds and methods and compositions for treating depression BURROUGHS WELLCOME CO. (US) 1978-10-31 US disclosed