SCHEMBL28098330

SCHEMBL28098330

CC(C)C(CO)C(C)CN

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1614441 0.79 TSHR (0.41) TSHRTDP1
SCHEMBL903728 0.75
SCHEMBL1614889 0.75 TSHR (0.50) TSHRALDH1A1TDP1
SCHEMBL10290190 0.74 TSHR (0.37) TSHRTDP1
SCHEMBL14284903 0.74 TSHR (0.37) TSHRTDP1
SCHEMBL18124714 0.74 TSHR (0.37) TSHRTDP1
SCHEMBL9541702 0.73
Ammonia Solution, Strong SCHEMBL28480131 0.72 TSHR (0.47) TSHRTDP1
SCHEMBL1132236 0.71
SCHEMBL18124715 0.70 TSHR (0.48) TSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105968289-A Ultraviolet light absorber resistance polyurethane composition and coating material using the same 东曹株式会社 2016-09-28 CN disclosed