SCHEMBL21163577

SCHEMBL21163577

CCC(C(=O)OC(C)(C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
TSHR P16473 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
SCHEMBL15672769 0.83 CA1 (0.36) CA1CA2CA7CA14TSHR
SCHEMBL14682156 0.77 CA1 (0.31) CA1CA2
SCHEMBL21564994 0.76 CTSS (0.32)
SCHEMBL17617125 0.76 ALDH1A1 (0.42) CA1CA2CA7CA14TSHR
SCHEMBL13690831 0.76 CA1 (0.47) CA1CA2CA7CA14TSHR
SCHEMBL17617142 0.76 ALDH1A1 (0.42) CA1CA2CA7CA14TSHR
SCHEMBL17617121 0.76 ALDH1A1 (0.42) CA1CA2CA7CA14TSHR
SCHEMBL1275780 0.76 TSHR (0.35) CA1CA2CA7CA14TSHR
SCHEMBL6238166 0.74 TSHR (0.33) CA1CA2CA7CA14TSHR
SCHEMBL21725213 0.73 CYP2D6 (0.32) CA1CA2TSHR

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
EP-2681623-B1 PATTERN FORMING METHOD, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND RESIST FILM FUJIFILM CORP (JP) 2019-07-10 EP disclosed