SCHEMBL6563295

SCHEMBL6563295

C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC.C=C(CC)C(=O)OCCCCCC

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.83
NAAA Q02083 1/20 0.52
THRB P10828 1/20 0.49
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAD52 P43351 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 2/20 0.42
CES2 O00748 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
FAAH O00519 1/20 0.40
LMNA P02545 1/20 0.40
ACHE P22303 4/20 0.40

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
SCHEMBL10594310 1.00 TSHR (0.83) TSHRNAAATHRBPOLBAPEX1
SCHEMBL4437013 0.98 TSHR (0.80) TSHRNAAATHRBPOLBAPEX1
SCHEMBL11355647 0.95 TSHR (0.75) TSHRNAAATHRBPOLBAPEX1
SCHEMBL18823247 0.95 TSHR (0.72) TSHRNAAATHRBPOLBAPEX1
SCHEMBL18823426 0.95 TSHR (0.72) TSHRNAAATHRBPOLBAPEX1
SCHEMBL18823318 0.95 TSHR (0.72) TSHRNAAATHRBPOLBAPEX1
SCHEMBL18822940 0.95 TSHR (0.72) TSHRNAAATHRBPOLBAPEX1
SCHEMBL9320768 0.94 TSHR (0.73) TSHRNAAATHRBPOLBAPEX1
SCHEMBL9321668 0.94 TSHR (0.73) TSHRNAAATHRBPOLBAPEX1
SCHEMBL11850141 0.93 TSHR (0.70) TSHRNAAARAD52NPSR1EPHX1

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
EP-0995791-B1 Polymer compositions and a method of promoting soil release from fabrics using said polymer compositions ROHM & HAAS (US) 2004-02-18 EP disclosed
US-6451756-B2 ACRYLIC ACID COPOLYMER SHULMAN JAN EDWARD (US) 2002-09-17 US disclosed
US-20010036912-A1 Method of promoting soil release from fabrics SHULMAN JAN EDWARD (US) 2001-11-01 US disclosed
EP-0995791-A1 Polymer compositions and a method of promoting soil release from fabrics using said polymer compositions ROHM AND HAAS COMPANY (US) 2000-04-26 EP disclosed