SCHEMBL4904063

SCHEMBL4904063

C=C(Br)P(=O)(OCC)OCC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARD Q03181 2/20 0.39
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
HMGCR P04035 1/20 0.33

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
SCHEMBL10387762 0.80 TP53 (0.46) TSHRCA12CA1CA2CA9
SCHEMBL2491743 0.79 TSHR (0.48) TSHRCA12CA1CA2CA9
SCHEMBL2356791 0.79 TSHR (0.48) TSHRCA12CA1CA2CA9
SCHEMBL12731355 0.77 TSHR (0.46) TSHRCA12CA1CA2CA9
SCHEMBL11350276 0.76 TSHR (0.42) TSHRCA12CA1CA2CA9
SCHEMBL25291415 0.75 TSHR (0.43) TSHRCA12CA1CA2CA9
SCHEMBL11324546 0.73 CA12 (0.45) TSHRCA12CA1CA2CA9
SCHEMBL11340361 0.73 TSHR (0.42) TSHRCA12CA1CA2CA9
SCHEMBL8912967 0.71 TSHR (0.40) TSHRCA12CA1CA2CA9
SCHEMBL10394481 0.71 TSHR (0.40) TSHRCA12CA1CA2CA9

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-20080003288-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2008-01-03 US disclosed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed
US-6491903-B1 NARROW MOLECULAR WEIGHT DISTRIBUTION SHELL-CORE POLYMERS HAVING HYDROPHILIC, CROSSLINKED PERMEABLE SHELLS AND HYDROPHOBIC CORES, USED FOR REDUCING BLOOD CHOLESTEROL AND BILE ACID UPTAKE IN INTERSTINES; DRUG DELIVERY WASHINGTON UNIVERSITY 2002-12-10 US disclosed
US-6383500-B1 Particles comprising amphiphilic copolymers, having a crosslinked shell domain and an interior core domain, useful for pharmaceutical and other applications WASHINGTON UNIVERSITY 2002-05-07 US disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
EP-0313997-B1 Medicine, therein contained phosphor containing 2-isoxazolidines and isoxazoles, as well as process for preparing those heterocyclic compounds HOECHST AG (DE) 1994-03-09 EP disclosed
US-5006515-A Immunology disorders, antitumor agent HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed
EP-0313997-A2 Medicine, therein contained phosphor containing 2-isoxazolidines and isoxazoles, as well as process for preparing those heterocyclic compounds HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-03 EP disclosed
US-4246103-A INHIBIT PRECIPITATION OF HARD WATER IONS ESPECIALLY FOR INDUSTRIAL WATER AND SLUDGE BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 US disclosed