SCHEMBL5015252

SCHEMBL5015252

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PPARD Q03181 2/20 0.40
NPSR1 Q6W5P4 1/20 0.38
ACHE P22303 1/20 0.36

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
SCHEMBL9184578 0.87 TSHR (0.42) TSHRTP53TDP1PPARDNPSR1
SCHEMBL4820053 0.86 TSHR (0.46) TSHRTP53TDP1PPARDNPSR1
SCHEMBL264912 0.86 TSHR (0.46) TSHRTP53TDP1PPARDNPSR1
SCHEMBL7526044 0.84 TSHR (0.56) TSHRTP53TDP1PPARDNPSR1
SCHEMBL11341588 0.84 TSHR (0.43) TSHRTP53TDP1PPARDNPSR1
SCHEMBL777168 0.84 TSHR (0.43) TSHRTP53TDP1PPARDNPSR1
SCHEMBL28963593 0.84 TP53 (0.46) TSHRTP53TDP1PPARDNPSR1
SCHEMBL14328090 0.84 TSHR (0.43) TSHRTP53TDP1PPARDNPSR1
SCHEMBL28920618 0.82 TP53 (0.44) TSHRTP53TDP1PPARDNPSR1
SCHEMBL12306814 0.82 TSHR (0.42) TSHRTP53TDP1PPARDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230378548-A1 FLAME RETARDANT GROUP-CONTAINING POLYMER, SEPARATOR OF NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING THE SAME, AND NON-AQUEOUS ELECTROLYTE BATTERY LG ENERGY SOLUTION, LTD. (KR) 2023-11-23 US disclosed
EP-1805243-B1 POLYTRIMETHYLENE TEREPHTHALATE HAVING A LOW LEVEL OF ACROLEIN AND A PROCESS FOR PRODUCING THE SAME LURGI ZIMMER GMBH (DE) 2013-01-09 EP disclosed
US-20080194793-A1 POLYTRIMETHYLENE TEREPHTHALATE HAVING A LOW LEVEL OF ACROLEIN AND A PROCESS FOR PRODUCING THE SAME KELSEY DONALD ROSS 2008-08-14 US disclosed
US-7381787-B2 Polytrimethylene terephthalate having a low level of acrolein and a process for producing the same SHELL OIL COMPANY (US) 2008-06-03 US disclosed
EP-1805243-A1 POLYTRIMETHYLENE TEREPHTHALATE HAVING A LOW LEVEL OF ACROLEIN AND A PROCESS FOR PRODUCING THE SAME SHELL INTERNATIONAL RESEARCH MAATSCHAPPIJ B.V. (NL) 2007-07-11 EP disclosed
US-20060084783-A1 Polytrimethylene terephthalate having a low level of acrolein and a process for producing the same LURGI ZIMMER GMBH (DE) 2006-04-20 US disclosed
WO-2006033917-A1 POLYTRIMETHYLENE TEREPHTHALATE HAVING A LOW LEVEL OF ACROLEIN AND A PROCESS FOR PRODUCING THE SAME SHELL INTERNATIONAL RESEARCH MAATSCHAPPIJ B.V. (NL) 2006-03-30 WO disclosed
US-4246103-A INHIBIT PRECIPITATION OF HARD WATER IONS ESPECIALLY FOR INDUSTRIAL WATER AND SLUDGE BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 US disclosed