SCHEMBL7899566

SCHEMBL7899566

CCOP(=O)(C[C@@H]1OC[C@@H](CBr)O1)OCC

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ENPP2 Q13822 7/20 0.37
LPAR2 Q9HBW0 3/20 0.37
PPARD Q03181 1/20 0.31

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
SCHEMBL7892388 1.00 TSHR (0.38) TSHRENPP2LPAR2PPARD
SCHEMBL7892169 1.00 TSHR (0.38) TSHRENPP2LPAR2PPARD
SCHEMBL7899917 1.00 TSHR (0.38) TSHRENPP2LPAR2PPARD
SCHEMBL7899920 1.00 TSHR (0.38) TSHRENPP2LPAR2PPARD
SCHEMBL9181802 0.84 ENPP2 (0.40) TSHRENPP2LPAR2PPARD
SCHEMBL4990894 0.77 TSHR (0.46) TSHRENPP2LPAR2PPARD
SCHEMBL11213634 0.72 TSHR (0.44) TSHRPPARD
SCHEMBL10429188 0.71 TSHR (0.60) TSHRENPP2LPAR2PPARD
SCHEMBL11221537 0.69 TSHR (0.41) TSHRPPARD
SCHEMBL11663356 0.66 ALDH1A1 (0.55) ENPP2LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194576-B1 COUPLING PURINE OR PYRIMIDINE BASE WITH NUCLEOTIDE ANALOG PHOSPHONATE COMPOUND BIOCHEM PHARMA, INC. (CA) 2001-02-27 US disclosed
US-6127540-A NUCLEOTIDE ANALOGS MADE BY COUPLING A PURINE OR PYRIMIDINE NUCLEOTIDE BASE OR ANALOGUE THEREOF WITH A 2-(PHOSPHONATE)FURAN OR 2-(PHOSPHONATE)THIOFURAN OF GIVEN FORMULA; USE AS NON-TOXIC ANTIVIRAL DRUGS BIOCHEM PHARMA, INC. (CA) 2000-10-03 US disclosed
US-6005107-A Antiviral compounds BIOCHEM PHARMA, INC. (CA) 1999-12-21 US disclosed
US-5955610-A COUPLING PHOSPHONATE INTERMEDIATE WITH PURINE OR PYRIMIDINE NUCLEOTIDE BASE BIOCHEM PHARMA, INC. (CA) 1999-09-21 US disclosed
US-5789394-A VIRICIDES FOR CYTOMEGALOVIRUS USING NUCLEOTIDES NGUYEN-BA NGHE (CA) 1998-08-04 US disclosed