SCHEMBL3676540

SCHEMBL3676540

C=C(C)C(=O)OCC(O)C(C)OC(=O)C(=C)C

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL8965758 0.89 TSHR (0.56) TSHRTHRBALDH1A1
SCHEMBL8943444 0.85 TSHR (0.60) TSHRTHRBALDH1A1
SCHEMBL28035425 0.85 TSHR (0.51) TSHRTHRBALDH1A1
SCHEMBL2585229 0.84 TSHR (0.68) TSHRTHRBALDH1A1
SCHEMBL20854815 0.84 TSHR (0.68) TSHRTHRBALDH1A1
SCHEMBL27216399 0.83 TSHR (0.57) TSHRTHRBALDH1A1
SCHEMBL8965784 0.83 TSHR (0.57) TSHRTHRBALDH1A1
SCHEMBL8965470 0.83 TSHR (0.62) TSHRTHRBALDH1A1
SCHEMBL28389880 0.83 TSHR (0.57) TSHRTHRBALDH1A1
SCHEMBL1372597 0.82 TSHR (0.67) 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
US-8329065-B2 Carbon nanotube-containing composition, composite, and methods for producing them MITSUBISHI RAYON CO., LTD. (JP) 2012-12-11 US disclosed
US-20100065788-A1 CARBON NANOTUBE-CONTAINING COMPOSITION, COMPOSITE, AND METHODS FOR PRODUCING THEM MITSUBISHI RAYON CO., LTD. (JP) 2010-03-18 US disclosed