SCHEMBL8582602

SCHEMBL8582602

CCOP(=O)(OCC)C(C)(O)P(=O)(OCC)OCC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPARD Q03181 2/20 0.41
LMNA P02545 1/20 0.39
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
HMGCR P04035 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
SCHEMBL19628748 0.84 TSHR (0.46) TSHRTP53TDP1PPARDCA12
SCHEMBL9115350 0.78 TSHR (0.50) TSHRTP53TDP1PPARDHMGCR
SCHEMBL13657439 0.78 TSHR (0.50) TSHRTP53TDP1PPARDHMGCR
SCHEMBL11778957 0.75 PPARD (0.43) TSHRTP53TDP1PPARDCA12
SCHEMBL16469354 0.74 TSHR (0.46) TSHRTP53TDP1PPARDHMGCR
SCHEMBL10128271 0.74 TSHR (0.46) TSHRTP53TDP1PPARD
SCHEMBL9115357 0.74 TSHR (0.46) TSHRTP53TDP1PPARDLMNA
SCHEMBL10718472 0.74 TSHR (0.46) TSHRTP53TDP1PPARD
SCHEMBL11507905 0.74 TSHR (0.46) TSHRTP53TDP1PPARDHMGCR
SCHEMBL8589626 0.74 TP53 (0.48) TSHRTP53TDP1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649441-A4 CALCIFICATION-RESISTANT SYNTHETIC BIOMATERIALS. UNIV MICHIGAN (US) 1998-12-02 EP disclosed
EP-0740683-A4 CALCIFICATION-RESISTANT BIOMATERIALS UNIV MICHIGAN (US) 1998-07-15 EP disclosed
EP-0740683-A1 CALCIFICATION-RESISTANT BIOMATERIALS THE BOARD OF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-11-06 EP disclosed
WO-1995020008-A1 CALCIFICATION-RESISTANT BIOMATERIALS THE BOARD OF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1995-07-27 WO disclosed
US-5436291-A Biocompatible implant of polymer modified with polyphosphonate through epoxide linkage; cardiac valve prostheses; irreversible binding of anticalcification agent to biomaterial UNIVERSITY OF MICHIGAN, THE BOARD OF . . . (US) 1995-07-25 US disclosed
EP-0649441-A1 CALCIFICATION-RESISTANT SYNTHETIC BIOMATERIALS THE UNIVERSITY OF MICHIGAN (US) 1995-04-26 EP disclosed
WO-1994001481-A1 CALCIFICATION-RESISTANT SYNTHETIC BIOMATERIALS UNIVERSITY OF MICHIGAN (US) 1994-01-20 WO disclosed
US-4579720-A USING HYDROXYMETHANE DIPHOSPHONIC ACID PLAINS CHEMICAL DEVELOPMENT CO. (US) 1986-04-01 US disclosed
US-4440646-A HYDROXY OR HALOALKANEPHOSPHONATES PLAINS CHEMICAL DEVELOPMENT CO. (US) 1984-04-03 US disclosed
US-4020091-A TIN SALTS OF POLYPHOSPHONIC ACIDS PLAINS CHEMICAL DEVELOPMENT CO. (US) 1977-04-26 US disclosed