SCHEMBL28113699

SCHEMBL28113699

CC(CO)C(C)(C)N(C)C

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
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
SCHEMBL19116056 0.72 ALDH1A1 (0.30) TSHR
SCHEMBL23131799 0.72 ALDH1A1 (0.33)
SCHEMBL28917891 0.69
SCHEMBL7882792 0.69
SCHEMBL2326056 0.69
SCHEMBL1104685 0.69
SCHEMBL23771168 0.69 CHRNB2 (0.35)
SCHEMBL12423958 0.67
SCHEMBL9177786 0.67
SCHEMBL9176668 0.67

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-106317369-A Aqueous polyurethane resin dispersion and use thereof 宇部兴产株式会社 2017-01-11 CN disclosed