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Sugi Predict / Compounds / SCHEMBL3680625

SCHEMBL3680625

SCHEMBL3680625

C=C(C)C(=O)OC(C)C(CO)OC(=O)C(=C)C

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.38
▸ THRB P10828 1/20 0.33
▸ TGFBR1 P36897 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
SCHEMBL3679800 0.87 TSHR (0.45) TSHRALDH1A1THRBTGFBR1
SCHEMBL12430834 0.82 TSHR (0.41) TSHRALDH1A1THRBTGFBR1
SCHEMBL15779044 0.82 TSHR (0.45) TSHRALDH1A1THRBTGFBR1
SCHEMBL8675024 0.81 TSHR (0.60) TSHRALDH1A1THRB
SCHEMBL5177443 0.80 TSHR (0.50) TSHRALDH1A1THRB
SCHEMBL4734217 0.80 TSHR (0.50) TSHRALDH1A1THRB
SCHEMBL19898984 0.80 TSHR (0.39) TSHRALDH1A1THRBTGFBR1
SCHEMBL32685450 0.80 TSHR (0.44) TSHRALDH1A1THRBTGFBR1
SCHEMBL6672875 0.78 TSHR (0.42) TSHRALDH1A1THRBTGFBR1
SCHEMBL6669303 0.77 TSHR (0.41) TSHRALDH1A1THRBTGFBR1

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