SCHEMBL11586972

SCHEMBL11586972

C=C(O)CN(OCCO)OCCO

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL11410932 0.78 TET2 (0.30) TSHR
SCHEMBL1720232 0.75 TSHR (0.39) TSHRMAPK1
SCHEMBL144877 0.75 BLM (0.38) TSHRMAPK1
SCHEMBL168997 0.73 BLM (0.37) TSHR
SCHEMBL6232031 0.69 TSHR (0.39) TSHRMAPK1
SCHEMBL1952750 0.68
SCHEMBL4130583 0.67 TSHR (0.37) TSHRMAPK1
SCHEMBL28377122 0.67 KDM4E (0.43)
Methacrylic Acid SCHEMBL43871 0.66 THRB (0.32) TSHR
SCHEMBL4970820 0.65 TSHR (0.35) TSHRMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4166845-A BETAINE DETERGENT COLGATE-PALMOLIVE COMPANY (US) 1979-09-04 US disclosed
US-4056558-A Sulfosuccinates of polyhydroxy tertiary amines as new detergent-softener compounds COLGATE-PALMOLIVE COMPANY (US) 1977-11-01 US disclosed