SCHEMBL28283124

SCHEMBL28283124

CC(C)(C)OOC(C)(C)C.C[C](C)C

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
ALDH1A1 P00352 2/20 0.43

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
Hydrogen Peroxide SCHEMBL2635895 0.86 TSHR (0.80) TSHRTDP1ALDH1A1
Methyl Alcohol SCHEMBL8043491 0.86 TSHR (0.80) TSHRTDP1ALDH1A1
SCHEMBL28236221 0.85 TDP1 (1.00) TSHRTDP1ALDH1A1
SCHEMBL14861 0.85 TDP1 (1.00) TSHRTDP1ALDH1A1
Acetone SCHEMBL27912055 0.84 TSHR (0.61) TSHRTDP1ALDH1A1
SCHEMBL29030569 0.84 TSHR (0.61) TSHRTDP1ALDH1A1
SCHEMBL9109031 0.84 TSHR (0.61) TSHRTDP1ALDH1A1
Tert-Butanol SCHEMBL27811401 0.82 TSHR (0.73) TSHRTDP1ALDH1A1
Acetic Acid SCHEMBL651110 0.81 TSHR (0.57) TSHRTDP1ALDH1A1
SCHEMBL7456242 0.80 TSHR (0.47) TSHRTDP1ALDH1A1

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
CN-109529284-A Method polyurethane coating being applied on the golf with thermoplastic polyurethane cladding 高仕利公司 2019-03-29 CN disclosed
CN-109475199-A foam composition and use thereof 耐克创新有限合伙公司 2019-03-15 CN disclosed