SCHEMBL7122525

SCHEMBL7122525

C=C(C)C(=O)OC.C=C(C)C(=O)OCC(C)C.C=C(C=C(C)C(=O)O)C(=O)OCC(C)C

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
ALDH1A1 P00352 2/20 0.43
THRB P10828 1/20 0.32
MAP3K7 O43318 1/20 0.32
TAB1 Q15750 1/20 0.32

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
SCHEMBL27433561 0.91 TSHR (0.56) TSHRALDH1A1
SCHEMBL195064 0.84 ALDH1A1 (0.47) TSHRALDH1A1THRB
SCHEMBL9114515 0.83 ALDH1A1 (0.58) TSHRALDH1A1
SCHEMBL8978071 0.83 TSHR (0.88) TSHRALDH1A1THRBMAP3K7TAB1
SCHEMBL10449919 0.81 ALDH1A1 (0.42) TSHRALDH1A1THRB
SCHEMBL9683138 0.81 TSHR (0.53) TSHRALDH1A1THRB
Acrylic Acid SCHEMBL19433745 0.80 TSHR (0.70) TSHRALDH1A1THRBMAP3K7TAB1
SCHEMBL6130512 0.80 TSHR (0.42) TSHR
SCHEMBL2893858 0.80 TSHR (0.47) TSHRALDH1A1
SCHEMBL4947083 0.80 ALDH1A1 (0.58) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030118944-A1 Post exposure method for enhancing durability of negative working lithographic plates WESTERN LITHO PLATE & SUPPLY CO. 2003-06-26 US disclosed