SCHEMBL29090572

SCHEMBL29090572

CC(C)CC(Br)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 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
SCHEMBL12868464 0.71 ALDH1A1 (0.37) ALDH1A1TSHRMAPK1
SCHEMBL1991395 0.71 ALDH1A1 (0.37) ALDH1A1TSHRMAPK1
SCHEMBL12203387 0.69 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1
SCHEMBL10959477 0.69
SCHEMBL12354632 0.69 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1
SCHEMBL1986223 0.69 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1
SCHEMBL26558568 0.67 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1
SCHEMBL2162344 0.66
SCHEMBL20203984 0.66
SCHEMBL2005096 0.65

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-116891401-A Initiator and preparation method thereof, composition for preparing EVA copolymer, EVA copolymer and EVOH resin 中国科学院长春应用化学研究所 2023-10-17 CN disclosed