SCHEMBL11538565

SCHEMBL11538565

CC(C)P(=O)(C#N)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33

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
SCHEMBL517723 0.67 TSHR (0.41) TSHR
SCHEMBL11891895 0.65
Isopropylamine SCHEMBL8424291 0.63 LAP3 (0.43)
Isopropylamine SCHEMBL7572409 0.63 LAP3 (0.43)
SCHEMBL2779238 0.63
Isopropylamine SCHEMBL7569273 0.63 LAP3 (0.43)
SCHEMBL6177020 0.62
SCHEMBL20606630 0.61 TSHR (0.35) TSHR
SCHEMBL8330604 0.61 TRPM8 (0.34)
SCHEMBL7576931 0.57

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
US-4138553-A 3-Methylene cephalosporanic acid derivatives and process for preparation thereof TEIJIN LIMITED (JP) 1979-02-06 US disclosed