SCHEMBL9254460

SCHEMBL9254460

C=CCN(CC=C)C(O)CCO

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.31
TSHR P16473 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
SCHEMBL27827432 0.79 TSHR (0.31) TSHR
SCHEMBL7767568 0.77 KDM4E (0.31)
SCHEMBL11150577 0.75 ALDH1A1 (0.30)
SCHEMBL2363741 0.74 TSHR (0.37) TSHR
SCHEMBL2733646 0.73 TSHR (0.30) TSHR
SCHEMBL3806771 0.73 TSHR (0.40) TSHR
SCHEMBL11779956 0.71
SCHEMBL15288287 0.71 THRB (0.38) THRB
SCHEMBL24471272 0.70
SCHEMBL10537777 0.69 CA12 (0.38)

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
EP-0497210-B1 Process for the preparation of dialkylaminopropane diol HOECHST AG (DE) 1995-06-14 EP disclosed
EP-0497210-A1 Process for the preparation of dialkylaminopropane diol HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-05 EP disclosed