SCHEMBL11087789

SCHEMBL11087789

CCOC(=O)CCOP(=O)(CC)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
CYP1A2 P05177 1/20 0.41
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
PPARD Q03181 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TRPA1 O75762 1/20 0.38
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
NR1I2 O75469 1/20 0.34
PGR P06401 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
PTGS2 P35354 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
SCHEMBL5481711 0.81 TSHR (0.60) TSHRCYP1A2GAAMGAMSI
SCHEMBL11441572 0.79 CYP1A2 (0.39) TSHRCYP1A2GAAMGAMSI
SCHEMBL710885 0.79 PPARD (0.54) TSHRCYP1A2GAAMGAMSI
SCHEMBL21219384 0.78 TSHR (0.56) TSHRGAAMGAMSIMGAM2
SCHEMBL2235112 0.76 CYP1A2 (0.52) TSHRCYP1A2GAAMGAMSI
SCHEMBL21219399 0.75 TSHR (0.52) TSHRPPARDALDH1A1CA12CA1
SCHEMBL21219376 0.75 TSHR (0.52) TSHRPPARDALDH1A1CA12CA1
SCHEMBL5961215 0.74 TSHR (1.00) TSHRGAAPPARD
SCHEMBL26483 0.74 TSHR (1.00) TSHRGAAPPARD
SCHEMBL2242036 0.74 TSHR (0.40) TSHRCYP1A2GAAMGAMSI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4436899-A REACTION OF ORGANIC PHOSPHONATE OR PHOSPHATE WITH TETRAVALENT METAL COMPOUND OCCIDENTAL RESEARCH CORPORATION (US) 1984-03-13 US disclosed
EP-0010366-B1 SOLID ORGANOMETALLIC INORGANIC POLYMERS AND THEIR APPLICATION OCCIDENTAL RESEARCH CORPORATION (US) 1983-02-16 EP disclosed
EP-0010857-B1 LAYERED OR AMORPHOUS ORGANOMETALLIC INORGANIC POLYMERS AND THEIR USE OCCIDENTAL RESEARCH CORPORATION (US) 1982-10-20 EP disclosed
US-4298723-A ION EXCHANGERS, CATALYSTS, SORBENTS, CONTROLLED RELEASE, INTERCALATION COMPOUNDS OCCIDENTAL RESEARCH CORPORATION (US) 1981-11-03 US disclosed
US-4256872-A INTERCALATION COMPOUNDS PREPARED BY THE METATHESIS REACTION IN LIQUID PHASE OF AN INORGANIC TETRAVALENT METAL COMPOUND AND AN ORGANIC PHOSPHONATE; ION EXCHANGERS OCCIDENTAL RESEARCH CORPORATION (US) 1981-03-17 US disclosed
US-4235990-A CRYSTALS WHICH DISPLAY INTERCALATION ACTIVITY OR CAN BE AMORPHOUS OCCIDENTAL RESEARCH CORPORATION (US) 1980-11-25 US disclosed
US-4232146-A Process for preparing layered organophosphorus inorganic polymers OCCIDENTAL RESEARCH CORPORATION (US) 1980-11-04 US disclosed
EP-0010857-A2 Layered or amorphous organometallic inorganic polymers and their use OCCIDENTAL RESEARCH CORPORATION (US) 1980-05-14 EP disclosed
EP-0010366-A1 Solid organometallic inorganic polymers and their application OCCIDENTAL RESEARCH CORPORATION (US) 1980-04-30 EP disclosed
WO-1980000703-A1 SOLID ORGANOMETALLIC INORGANIC POLYMERS OCCIDENTAL RES CORP (US) 1980-04-17 WO disclosed
WO-1980000704-A1 LAYERED OR AMORPHOUS ORGANOMETALLIC INORGANIC POLYMERS OCCIDENTAL RES CORP (US) 1980-04-17 WO disclosed