SCHEMBL28066560

SCHEMBL28066560

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

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.30

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
SCHEMBL27921268 0.79 TSHR (0.37) TSHRALDH1A1
SCHEMBL4373395 0.78 PDE4A (0.39) TSHR
SCHEMBL10126332 0.78 GAPDH (0.34) TSHR
SCHEMBL9747332 0.76 LMNA (0.41) TSHRALDH1A1
SCHEMBL11202568 0.76 MAPT (0.38) TSHRALDH1A1
SCHEMBL4239654 0.75
SCHEMBL2783948 0.74 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL27348448 0.74 TSHR (0.34) TSHRALDH1A1
SCHEMBL8059531 0.73 TSHR (0.30) TSHRALDH1A1
SCHEMBL30688228 0.73 TSHR (0.32) 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-103608398-B Radiation-hardenable aqueous dispersion 湛新比利时股份有限公司 2016-06-29 CN disclosed