SCHEMBL9725547

SCHEMBL9725547

[Al].c1ccc(COCc2ccccc2)cc1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.94
IDO1 P14902 1/20 0.57
AGXT P21549 1/20 0.55
CA1 P00915 5/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
CA7 P43166 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
TACR1 P25103 2/20 0.48
CALM1 P0DP23 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46

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
SCHEMBL27380 0.97 TSHR (1.00) TSHRIDO1AGXTCA1CA2
SCHEMBL5311581 0.97 TSHR (1.00) TSHRIDO1AGXTCA1CA2
Methane SCHEMBL11192510 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Calcium SCHEMBL2864550 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Barium SCHEMBL3798966 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
SCHEMBL9795394 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
SCHEMBL10317949 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Potassium SCHEMBL586337 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
SCHEMBL9491202 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2
SCHEMBL1009266 0.94 TSHR (0.94) TSHRIDO1AGXTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153031-A Use of hydrogen peroxide in preparing magnesium containing silicate sols for coating and fiber formation CORNELL RESEARCH FOUNDATION, INC. (US) 1992-10-06 US disclosed
US-5019293-A Use of hydrogen peroxide in preparing magnesium containing silicate sols for coating and fiber formation CORNELL RESEARCH FOUNDATION, INC. (US) 1991-05-28 US disclosed
EP-0273521-B1 A PROCESS FOR THE PREPARATION OF AN ALKANOL AKOXYLATE PRODUCT SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-02-27 EP disclosed
WO-1991000140-A1 USE OF HYDROGEN PEROXIDE IN PREPARING MAGNESIUM CONTAINING SILICATE SOLS FOR COATING AND FIBER FORMATION CORNELL RESEARCH FOUNDATION, INC. (US) 1991-01-10 WO disclosed
EP-0228121-B1 PREPARATION OF NONIONIC SURFACTANTS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-03-14 EP disclosed
US-4825009-A CATALYST IS REACTION PRODUCT OF SULFUR CONTAINING ACID AND ORGANOALUMINUM COMPOUND SHELL OIL COMPANY (US) 1989-04-25 US disclosed
EP-0273521-A1 A process for the preparation of an alkanol akoxylate product SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-07-06 EP disclosed
US-4721817-A POLYMERIZATION OF ALKYLENE OXIDE STOPPED BY ALKANOL WITH PHOSPHOROUS ACID AND ALUMINUM ALCOHOLATE CATALYST JMIU,U, SHELL OIL COMPANY (US) 1988-01-26 US disclosed
US-4721816-A Preparation of nonionic surfactants SHELL OIL COMPANY (US) 1988-01-26 US disclosed
EP-0228121-A1 Preparation of nonionic surfactants SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-07-08 EP disclosed
EP-0070039-A2 Polymerization catalyst and process for polymerizing alpha-olefins PHILLIPS PETROLEUM COMPANY (US) 1983-01-19 EP disclosed
US-4243552-A MAGNESIUM CHLORIDE OR MANGANESE CHLORIDE AND ADJUVANT PHILLIPS PETROLEUM COMPANY (US) 1981-01-06 US disclosed
EP-0012397-A1 Polymerization catalyst and process for polymerizing alpha-olefins PHILLIPS PETROLEUM COMPANY (US) 1980-06-25 EP disclosed