SCHEMBL4917892

SCHEMBL4917892

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
TSHR P16473 2/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL7700420 0.83 TSHR (0.41) THRBTSHRCA1CA2
SCHEMBL7757309 0.81 THRB (0.32) THRBTSHR
SCHEMBL124310 0.79 THRB (0.36) THRBTSHRCA1CA2
SCHEMBL4920936 0.78 THRB (0.33) THRBTSHR
SCHEMBL6673851 0.77 THRB (0.35) THRBTSHR
Iodomethane SCHEMBL716674 0.76 THRB (0.34) THRBTSHRCA1CA2
Chloromethane SCHEMBL543091 0.75 TSHR (0.34) THRBTSHR
SCHEMBL3872586 0.75 TSHR (0.34) THRBTSHR
SCHEMBL41031 0.74 TSHR (0.36) THRBTSHR
SCHEMBL4916463 0.74 CA2 (0.49) THRBTSHRCA1CA2

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-20080057434-A1 METHOD OF PRODUCING NON-MAGNETIC ONE-COMPONENT TONER FOR DEVELOPING ELECTROSTATIC IMAGE ZEON CORPORATION (JP) 2008-03-06 US disclosed