SCHEMBL20533816

SCHEMBL20533816

CC(=CC(O)C(C)CO)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL13719154 0.83 TSHR (0.33)
Propylene Glycol SCHEMBL15821720 0.82 TDP1 (0.40) OR51E2TDP1
Propylene Glycol SCHEMBL15821486 0.82 TDP1 (0.40) OR51E2TDP1
SCHEMBL27222946 0.79 TGFBR1 (0.34)
SCHEMBL11582093 0.78 TP53 (0.35)
SCHEMBL1664114 0.78 TP53 (0.35)
SCHEMBL1664118 0.78 TP53 (0.35)
SCHEMBL22773012 0.78 TP53 (0.35)
SCHEMBL11582088 0.78 TP53 (0.35)
SCHEMBL20239765 0.78 PDE4A (0.42) OR51E2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590229-B2 Polyurethane coating compositions COVESTRO DEUTSCHLAND AG (DE) 2020-03-17 US disclosed
US-20180298138-A1 POLYURETHANE COATING COMPOSITIONS COVESTRO DEUTSCHLAND AG (DE) 2018-10-18 US disclosed