SCHEMBL10596602

SCHEMBL10596602

C=C(C)C(=O)OCC(CCN(C)C)N(CC)CC

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
THRB P10828 1/20 0.37
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL28382466 0.84 TSHR (0.55) TSHRTHRBALDH1A1
SCHEMBL5242719 0.78 TSHR (0.52) TSHRTHRBALDH1A1
SCHEMBL1683526 0.77 TSHR (0.41) TSHRTHRB
SCHEMBL1616318 0.77 TSHR (0.41) TSHRTHRB
SCHEMBL8519927 0.75 TSHR (0.57) TSHRTHRBALDH1A1
SCHEMBL13779875 0.75 TSHR (0.61) TSHRTHRBALDH1A1
SCHEMBL2161342 0.74 TSHR (0.52) TSHRTHRBALDH1A1
SCHEMBL5956038 0.74 TSHR (0.60) TSHRTHRBALDH1A1
SCHEMBL8054350 0.74 TSHR (0.55) TSHRTHRBALDH1A1
SCHEMBL11302844 0.74 TSHR (0.55) TSHRTHRBALDH1A1

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-0232442-B1 IMPROVED BLOOD-PURIFYING MEMBRANE AND PROCESS FOR PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1989-04-26 EP disclosed
US-4787977-A REGENERATED CELLULOSE WITH AMINO CONTAINING POLYMERIC COATING ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1988-11-29 US disclosed