SCHEMBL28296802

SCHEMBL28296802

C=C(C)C(=O)OC(C)N(C)C.C=CC(=O)OC(C)O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL28046739 0.87 TSHR (0.38) TSHRALDH1A1
SCHEMBL6746515 0.87 TSHR (0.38) TSHRALDH1A1
SCHEMBL28514931 0.85 TSHR (0.33) TSHR
SCHEMBL28866554 0.84 TSHR (0.33) TSHR
Acrylic Acid SCHEMBL6138412 0.83 TSHR (0.36) TSHRALDH1A1
Acetic Acid SCHEMBL18298040 0.83 TSHR (0.36) TSHRALDH1A1
SCHEMBL14983 0.83 TSHR (0.43) TSHRALDH1A1
SCHEMBL27484732 0.83 ALDH1A1 (0.48) TSHRALDH1A1
Acrylamide SCHEMBL10483982 0.82 TSHR (0.38) TSHRALDH1A1
Acrylic Acid SCHEMBL2832884 0.82 TSHR (0.35) 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
CN-109694603-A Foam fireproof coating 关西涂料株式会社 2019-04-30 CN disclosed