SCHEMBL6845510

SCHEMBL6845510

CCCCCCOP(C)OCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
CA1 P00915 8/20 0.39
CA2 P00918 8/20 0.39
CA9 Q16790 7/20 0.39
LPAR3 Q9UBY5 6/20 0.39
LPAR2 Q9HBW0 5/20 0.39
CA12 O43570 3/20 0.39
CA7 P43166 3/20 0.39
CA14 Q9ULX7 3/20 0.39
LPAR1 Q92633 2/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA5B Q9Y2D0 2/20 0.39

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
SCHEMBL15728704 1.00 THRB (0.44) THRBTSHRMEN1HTTKMT2A
SCHEMBL6845342 0.97 THRB (0.39) THRBTSHRMEN1HTTKMT2A
SCHEMBL21300746 0.93 THRB (0.38) THRBTSHRMEN1HTTKMT2A
SCHEMBL4455881 0.88 ADRB2 (0.43) THRBTSHRCA1CA2
SCHEMBL1726484 0.83 THRB (0.44) THRBTSHRMEN1HTTKMT2A
SCHEMBL6443565 0.83 THRB (0.44) THRBTSHRMEN1HTTKMT2A
SCHEMBL1725224 0.83 THRB (0.44) THRBTSHRMEN1HTTKMT2A
SCHEMBL6443683 0.83 THRB (0.44) THRBTSHRMEN1HTTKMT2A
SCHEMBL6450135 0.83 THRB (0.44) THRBTSHRMEN1HTTKMT2A
SCHEMBL27845157 0.83 THRB (0.44) THRBTSHRMEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770779-B1 ALKYLATION OF YELLOW PHOSPHORUS WITH ALKYLATING IN BASE TO FORM METAL SALT OF ALKYLPHOSPHONOUS, PHOSPHOROUS AND HYPOPHOSPHOROUS ACIDS; ESTERIFICATION CLARIANT GMBH (DE) 2004-08-03 US claimed
EP-1055679-B1 Process for the preparation of alkylphosphonous acid esters CLARIANT GMBH (DE) 2003-08-06 EP claimed
EP-1055676-B1 Process for the preparation of dialkylphosphinic acids and their salts CLARIANT GMBH (DE) 2003-08-06 EP claimed
EP-1055677-B1 Process for the preparation of phosphinic acid esters CLARIANT GMBH (DE) 2003-03-05 EP claimed
US-6359171-B1 ALKYLATION PHOSPHORUS; ESTERIFICATION CLARIANT GMBH (DE) 2002-03-19 US claimed
US-6278012-B1 REACTING ELEMENTAL YELLOW PHOSPHORUS WITH ALKYLATING AGENTS IN PRESENCE OF A BASE TO GIVE A MIXTURE COMPRISING ALKYLPHOSPHONOUS, PHOSPHOROUS AND HYPOPHOSPHOROUS ACIDS; ESTERIFICATION; ISOLATING AND ADDING TO OLEFIN COMPOUND CLARIANT GMBH (DE) 2001-08-21 US claimed
US-6770779-B1 ALKYLATION OF YELLOW PHOSPHORUS WITH ALKYLATING IN BASE TO FORM METAL SALT OF ALKYLPHOSPHONOUS, PHOSPHOROUS AND HYPOPHOSPHOROUS ACIDS; ESTERIFICATION CLARIANT GMBH (DE) 2004-08-03 US disclosed
US-6359171-B1 ALKYLATION PHOSPHORUS; ESTERIFICATION CLARIANT GMBH (DE) 2002-03-19 US disclosed
US-6278012-B1 REACTING ELEMENTAL YELLOW PHOSPHORUS WITH ALKYLATING AGENTS IN PRESENCE OF A BASE TO GIVE A MIXTURE COMPRISING ALKYLPHOSPHONOUS, PHOSPHOROUS AND HYPOPHOSPHOROUS ACIDS; ESTERIFICATION; ISOLATING AND ADDING TO OLEFIN COMPOUND CLARIANT GMBH (DE) 2001-08-21 US disclosed