SCHEMBL50937

SCHEMBL50937

CCCCC1OC1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CFTR P13569 1/20 0.38
GRM2 Q14416 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 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
SCHEMBL4624725 0.92 CFTR (0.45) TSHRCFTRGRM2
SCHEMBL379440 0.92 CFTR (0.45) TSHRCFTRGRM2
SCHEMBL27260115 0.92 CFTR (0.45) TSHRCFTRGRM2
SCHEMBL1499434 0.92 CFTR (0.45) TSHRCFTRGRM2
SCHEMBL3626287 0.88 TSHR (0.41) TSHRMEN1KMT2ACHRM2CHRM4
SCHEMBL27917653 0.83 HTR7 (0.36) GRM2
SCHEMBL9802435 0.79 SPHK1 (0.48) KDM4EALDH1A1TP53CHRM2CHRM5
SCHEMBL50998 0.79 TSHR (0.43) TSHRMEN1GAAKMT2ACHRM2
SCHEMBL7951294 0.79 TSHR (0.43) TSHRMEN1GAAKMT2ACHRM2
SCHEMBL9801940 0.78 GRM2 (0.40) CFTRGRM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4511516-A ARYL-SUBSTITUTED 5-AZA-1-BORA-2,8-DIOXACYCLOOCTANE, OIL ADDITIVES UNION OIL COMPANY OF CALIFORNIA (US) 1985-04-16 US claimed
US-4490265-A BORON-CONTAINING HETEROCYCLIC ADDITIVES, POLYSULFIDE DERIVATIVES OF 2,5-DIMERCAPTO-1,3,4-THIADIAZOLES AND BISDITHIOBENZIL METAL COMPONENTS UNION OIL COMPANY OF CALIFORNIA (US) 1984-12-25 US claimed
CN-109535707-B Pneumatic tire 横滨橡胶株式会社 2021-05-25 CN disclosed
EP-2508342-B1 INNER LINER FOR PNEUMATIC TIRE, AND METHOD FOR PRODUCING SAME KURARAY CO (JP) 2020-04-01 EP disclosed
EP-2508343-B1 MULTILAYER STRUCTURE AND METHOD FOR PRODUCING SAME KURARAY CO (JP) 2020-03-11 EP disclosed
EP-2554372-B1 MULTILAYERED STRUCTURE AND LAMINATE AND METHOD FOR PRODUCTION OF THE SAME KURARAY CO (JP) 2020-01-08 EP disclosed
EP-2857451-B1 PNEUMATIC TIRE YOKOHAMA RUBBER CO LTD (JP) 2019-05-08 EP disclosed
EP-2623315-B1 MULTILAYERED STRUCTURE, INNER LINER HAVING THE SAME, AND PNEUMATIC TIRE KURARAY CO (JP) 2019-04-17 EP disclosed
EP-2716445-B1 MULTI-LAYERED STRUCTURE, INNER LINER FOR PNEUMATIC TIRE, AND PNEUMATIC TIRE BRIDGESTONE CORP (JP) 2019-04-10 EP disclosed
US-10189980-B2 Process for producing thermoplastic resin composition THE YOKOHAMA RUBBER CO., LTD. (JP) 2019-01-29 US disclosed
US-10183432-B2 Inner liner for pneumatic tire, method for producing the same, and pneumatic tire KURARAY CO., LTD. (JP) 2019-01-22 US disclosed
EP-0724569-A1 PROCESS FOR THE PREPARATION OF AN OXIRANE, AZIRIDINE OR CYCLOPROPANE ZENECA LIMITED (GB) 1996-08-07 EP disclosed
US-5466838-A Catalytic reaction of olefin with oxygen in the presence of aldehyde SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-11-14 US disclosed
EP-0540009-B1 Process for producing epoxides SUMITOMO CHEMICAL CO (JP) 1995-08-30 EP disclosed
WO-1995011230-A1 PROCESS FOR THE PREPARATION OF AN OXIRANE, AZIRIDINE OR CYCLOPROPANE ZENECA LIMITED (GB) 1995-04-27 WO disclosed
US-5367087-A Process for producing epoxide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-11-22 US disclosed
EP-0540009-A1 Process for producing epoxides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-05 EP disclosed
US-4511516-A ARYL-SUBSTITUTED 5-AZA-1-BORA-2,8-DIOXACYCLOOCTANE, OIL ADDITIVES UNION OIL COMPANY OF CALIFORNIA (US) 1985-04-16 US disclosed
US-4490265-A BORON-CONTAINING HETEROCYCLIC ADDITIVES, POLYSULFIDE DERIVATIVES OF 2,5-DIMERCAPTO-1,3,4-THIADIAZOLES AND BISDITHIOBENZIL METAL COMPONENTS UNION OIL COMPANY OF CALIFORNIA (US) 1984-12-25 US disclosed
US-3975279-A B-(HALOPROPYL)-THIONOPHOSPHATE AND A STYRENE OXIDE ETHYL CORPORATION (US) 1976-08-17 US disclosed