SCHEMBL25399276

SCHEMBL25399276

C=CCOC(OCC=C)(OCC=C)C(O)CC

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 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
SCHEMBL25402736 0.83 TSHR (0.31) TSHRCA1CA2CA7
SCHEMBL25436510 0.79 TSHR (0.39) TSHR
SCHEMBL25401024 0.77 CA1 (0.34) CA1CA2CA7
SCHEMBL27540439 0.72 CA1 (0.39) TSHRCA1CA2CA7
SCHEMBL159066 0.72 MEN1 (0.34)
SCHEMBL30585152 0.71 CA1 (0.34) TSHRCA1CA2CA7
SCHEMBL25399272 0.70 TDP1 (0.30)
SCHEMBL24567363 0.69 CA1 (0.33) CA1CA2CA7
SCHEMBL25401341 0.69 TDP1 (0.31) TSHR
SCHEMBL7128933 0.68 CA1 (0.31) CA1CA2CA7

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
WO-2023176900-A1 MEMBER TOTO株式会社 2023-09-21 WO disclosed