SCHEMBL8380478

SCHEMBL8380478

O=C(O)c1cc(Br)c(C(=O)O)c(I)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 6/20 0.56
TTR P02766 2/20 0.54
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
MAPK1 P28482 2/20 0.37
TP53 P04637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CA3 P07451 1/20 0.37
MAPT P10636 1/20 0.37
SELL P14151 1/20 0.37
HPGD P15428 1/20 0.37
SELP P16109 1/20 0.37
FUT4 P22083 1/20 0.37
CA4 P22748 1/20 0.37

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
SCHEMBL5560892 0.84 TTR (0.65) TPMTTTRCA12CA1CA2
SCHEMBL5988761 0.79 TTR (0.72) TPMTTTRCA12CA1CA2
SCHEMBL16049973 0.78 TPMT (0.65) TPMTTTRCA12CA1CA2
SCHEMBL14661819 0.78 HCAR1 (0.35) TPMTTTRMAPK1TSHRHCAR2
SCHEMBL16050151 0.78 TPMT (0.54) TPMTTTRCA12CA1CA2
SCHEMBL3715241 0.78 TPMT (0.54) TPMTTTRCA12CA1CA2
SCHEMBL31565666 0.78 TPMT (0.54) TPMTTTRCA12CA1CA2
SCHEMBL1071450 0.78 TPMT (0.54) TPMTTTRCA12CA1CA2
SCHEMBL29528375 0.78 TPMT (0.54) TPMTTTRCA12CA1CA2
SCHEMBL6059478 0.77 TTR (0.56) TPMTTTRCA12CA1CA2

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
EP-0713502-B1 NAPHTHALENEDICARBOXYLIC ACID CONTAINING POLYMER/HALOGEN COMPOUND COMPOSITIONS HAVING REDUCED FLUORESCENCE EASTMAN CHEM CO (US) 1999-04-07 EP claimed
EP-0713502-A1 NAPHTHALENEDICARBOXYLIC ACID CONTAINING POLYMER/HALOGEN COMPOUND COMPOSITIONS HAVING REDUCED FLUORESCENCE EASTMAN CHEMICAL COMPANY (US) 1996-05-29 EP claimed
US-5391701-A Containing difunctional aromatic monomer having at least one halogen group directly attached to ring EASTMAN CHEMICAL COMPANY (US) 1995-02-21 US claimed
WO-1995004769-A1 NAPHTHALENEDICARBOXYLIC ACID CONTAINING POLYMER/HALOGEN COMPOUND COMPOSITIONS HAVING REDUCED FLUORESCENCE EASTMAN CHEMICAL COMPANY (US) 1995-02-16 WO claimed
EP-0713506-A1 A PROCESS FOR PREPARING NAPHTHALENEDICARBOXYLIC ACID CONTAINING POLYMER BLENDS HAVING REDUCED FLUORESCENCE EASTMAN CHEM CO (US) 1996-05-29 EP disclosed
US-5391702-A Melt blending with a fluorescence-quenching aromatic ketone or aromatic alcohol and forming EASTMAN CHEMICAL COMPANY (US) 1995-02-21 US disclosed
US-5391330-A Melt blending aromatic ketone or naphthol compounds EASTMAN CHEMICAL COMPANY (US) 1995-02-21 US disclosed
WO-1995004777-A1 A PROCESS FOR PREPARING NAPHTHALENEDICARBOXYLIC ACID CONTAINING POLYMER BLENDS HAVING REDUCED FLUORESCENCE EASTMAN CHEMICAL COMPANY (US) 1995-02-16 WO disclosed