SCHEMBL9500747

SCHEMBL9500747

C=C(C)C(=O)OCCCCCCCCCCCC.C=CO

nearest known ligand 0.86

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.86
THRB P10828 1/20 0.50
NAAA Q02083 1/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 1/20 0.47
HCAR2 Q8TDS4 2/20 0.46
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EPHX1 P07099 1/20 0.46
CES2 O00748 1/20 0.43
CYP3A4 P08684 1/20 0.42
ATM Q13315 1/20 0.41
FAAH O00519 1/20 0.41
LMNA P02545 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
Propene SCHEMBL28098866 0.93 TSHR (0.86) TSHRTHRBNAAAALDH1A1POLB
Butadiene SCHEMBL11411521 0.93 TSHR (0.86) TSHRTHRBNAAAALDH1A1POLB
SCHEMBL11775454 0.93 TSHR (1.00) TSHRTHRBNAAAALDH1A1POLB
SCHEMBL6655183 0.93 TSHR (1.00) TSHRTHRBNAAAALDH1A1POLB
SCHEMBL1977194 0.93 TSHR (1.00) TSHRTHRBNAAAALDH1A1POLB
SCHEMBL25293880 0.93 TSHR (1.00) TSHRTHRBNAAAALDH1A1POLB
SCHEMBL14995 0.93 TSHR (1.00) TSHRTHRBNAAAALDH1A1POLB
SCHEMBL21853811 0.93 TSHR (1.00) TSHRTHRBNAAAALDH1A1POLB
SCHEMBL21853806 0.93 TSHR (1.00) TSHRTHRBNAAAALDH1A1POLB
SCHEMBL22579031 0.93 TSHR (1.00) TSHRTHRBNAAAALDH1A1POLB

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
EP-0275081-B1 COPOLYMERS OF VINYL ALCOHOL AND ACRYLATES AIR PRODUCTS AND CHEMICALS, INC. (US) 1993-04-21 EP disclosed
US-4948857-A Copolymers of vinyl acetate and acrylates AIR PRODUCTS AND CHEMICALS, INC. (US) 1990-08-14 US disclosed
US-4772663-A OXYGEN BARRIERS AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-09-20 US disclosed
EP-0275900-A2 Copolymers of vinyl acetate and acrylates AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-07-27 EP disclosed
EP-0275081-A2 Copolymers of vinyl alcohol and acrylates AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-07-20 EP disclosed