SCHEMBL5878321

SCHEMBL5878321

O=C(OS(=O)(=O)O)C(Cl)(Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL16823271 0.79 CA2 (0.30) CA2
SCHEMBL6601319 0.72 TSHR (0.37) TSHRCA2ALDH1A1TDP1
SCHEMBL20661177 0.72 ALDH1A1 (0.35) TSHRALDH1A1TP53
SCHEMBL26619747 0.70 ELANE (0.36) CA2
SCHEMBL27330555 0.67
SCHEMBL4363246 0.65 CA2 (0.44) TSHRCA2TDP1
SCHEMBL3067997 0.65 CA2 (0.44) TSHRCA2TDP1
SCHEMBL672469 0.65 ALDH1A1 (0.44) TSHRALDH1A1TP53
SCHEMBL150679 0.65 ALDH1A1 (0.44) TSHRALDH1A1TP53
Trichloroacetic Acid SCHEMBL17652024 0.65 TSHR (0.62) TSHRCA2ALDH1A1TP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103736465-B A kind of modification waste Crumb rubber for Adsorption of Heavy Metals and preparation method thereof HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-04-13 CN claimed
CN-103736465-A Modified waste rubber powder for absorbing heavy metals and preparation method thereof UNIV HUAZHONG SCIENCE TECH 2014-04-23 CN claimed
CN-103736465-B A kind of modification waste Crumb rubber for Adsorption of Heavy Metals and preparation method thereof HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-04-13 CN disclosed
CN-103736465-A Modified waste rubber powder for absorbing heavy metals and preparation method thereof UNIV HUAZHONG SCIENCE TECH 2014-04-23 CN disclosed
US-7084174-B2 Administration of isovaleryl L-carnitine to stimulate osteoblastic activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-08-01 US disclosed
EP-1351676-B1 USE OF ISOVALERYL L-CARNITINE FOR THE PREPARATION OF A MEDICAMENT FOR THE PREVENTION AND CURE OF OSTEOPOROSIS SIGMA TAU IND FARMACEUTI (IT) 2005-08-17 EP disclosed
US-20050143458-A1 Use of isovaleryl L-carnitine for the preparation of a medicament for the prevention and cure of fractures SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2005-06-30 US disclosed
US-6906102-B2 Use of isovaleryl L-carnitine to increase healing of bone fractures SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2005-06-14 US disclosed
US-20040077718-A1 Use of isovaleryl l-carnitine for the preparation of a medicament for the prevention and cure of osteoporosis SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-04-22 US disclosed
EP-1351676-A1 USE OF ISOVALERYL L-CARNITINE FOR THE PREPARATION OF A MEDICAMENT FOR THE PREVENTION AND CURE OF OSTEOPOROSIS Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2003-10-15 EP disclosed
WO-2002049639-A1 USE OF ISOVALERYL L-CARNITINE FOR THE PREPARATION OF A MEDICAMENT FOR THE PREVENTION AND CURE OF OSTEOPOROSIS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2002-06-27 WO disclosed