SCHEMBL28085506

SCHEMBL28085506

C=C(C)C(=O)OC(CCCO)OCCO

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
THRB P10828 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL28863313 0.83 TSHR (0.36) TSHRTHRBALDH1A1
Methacrylic Acid SCHEMBL29038246 0.81 TSHR (0.33) TSHRTHRB
SCHEMBL17010184 0.80 PTPN1 (0.36) TSHRALDH1A1
SCHEMBL14695691 0.80 TSHR (0.34) TSHRTHRBALDH1A1
SCHEMBL11127577 0.80 TSHR (0.39) TSHRTHRBALDH1A1
SCHEMBL27607314 0.80 TSHR (0.34) TSHRALDH1A1
SCHEMBL2943508 0.79 TSHR (0.41) TSHRTHRBALDH1A1
SCHEMBL13007375 0.79 TSHR (0.42) TSHRTHRBALDH1A1
SCHEMBL2541290 0.79 TSHR (0.42) TSHRTHRBALDH1A1
SCHEMBL11239482 0.78 TSHR (0.56) TSHR

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
CN-105885538-A ULTRAVIOLET CROSSLINKING INKJET INK, INK CARTRIDGE CONTAINING SAME, AND IMAGE FORMING METHOD AND APPARATUS USING SAME 株式会社理光 2016-08-24 CN disclosed