SCHEMBL8884790

SCHEMBL8884790

Cc1ccc(OP(=O)(O)Oc2ccc(C)cc2)cc1.[NaH]

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
CYP3A4 P08684 1/20 0.64
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
LMNA P02545 4/20 0.48
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 1/20 0.43
ACHE P22303 1/20 0.42
PTK2B Q14289 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SRC P12931 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL157866 0.98 TSHR (0.67) TSHRCYP3A4CES2CES1LMNA
Fluoride SCHEMBL31047203 0.95 TSHR (0.64) TSHRCYP3A4CES2CES1LMNA
SCHEMBL1983846 0.95 TSHR (0.64) TSHRCYP3A4CES2CES1LMNA
SCHEMBL218003 0.90 CYP3A4 (0.57) TSHRCYP3A4CES2CES1LMNA
Toluene SCHEMBL28459052 0.90 TSHR (0.57) TSHRCYP3A4CES2CES1LMNA
Naphthalene SCHEMBL15952534 0.88 CYP3A4 (0.55) TSHRCYP3A4CES2CES1LMNA
Ethylenediamine SCHEMBL8467918 0.88 TSHR (0.55) TSHRCYP3A4CES2CES1LMNA
SCHEMBL5597386 0.88 TSHR (0.55) TSHRCYP3A4CES2CES1LMNA
P-Xylene SCHEMBL8467418 0.87 SRC (0.59) TSHRCYP3A4LMNAMEN1KMT2A
SCHEMBL13422760 0.87 TSHR (0.59) TSHRCYP3A4CES2CES1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5665802-A REACTING POLYAMIC ACID WITH A DEHYDRATION-CYCLIZATION AGENT, A CATALYST AND AN ORGANIC PHOSPHORUS COMPOUND; EXCELLENT IN TENSILE STRENGTH AND FLEXIBILITY KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-09-09 US claimed
US-5665802-A REACTING POLYAMIC ACID WITH A DEHYDRATION-CYCLIZATION AGENT, A CATALYST AND AN ORGANIC PHOSPHORUS COMPOUND; EXCELLENT IN TENSILE STRENGTH AND FLEXIBILITY KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-09-09 US disclosed
EP-0350958-B1 Improved polyimide and polyimide film and manufacturing method thereof KANEGAFUCHI CHEMICAL IND (JP) 1994-12-21 EP disclosed
EP-0350958-A2 Improved polyimide and polyimide film and manufacturing method thereof KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-01-17 EP disclosed