SCHEMBL28899563

SCHEMBL28899563

N#CCCCCCC(Br)(Br)C#N

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.31
HIF1A Q16665 2/20 0.30
EPAS1 Q99814 2/20 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
SCHEMBL8467385 0.90 TSHR (0.38) TSHRALDH1A1TDP1
SCHEMBL676514 0.79
SCHEMBL28619144 0.75 TSHR (0.38) TSHRALDH1A1TDP1MAPT
SCHEMBL818520 0.72
SCHEMBL1004438 0.72 ALDH1A1 (0.58) TSHRALDH1A1TDP1MAPTHIF1A
SCHEMBL1004069 0.72 ALDH1A1 (0.58) TSHRALDH1A1TDP1MAPTHIF1A
SCHEMBL1003333 0.72 ALDH1A1 (0.58) TSHRALDH1A1TDP1MAPTHIF1A
SCHEMBL645518 0.72 ALDH1A1 (0.58) TSHRALDH1A1TDP1MAPTHIF1A
SCHEMBL411130 0.72 ALDH1A1 (0.58) TSHRALDH1A1TDP1MAPTHIF1A
SCHEMBL1003953 0.72 ALDH1A1 (0.58) TSHRALDH1A1TDP1MAPTHIF1A

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-115397797-A Hydrogenation of L-sorbose 巴斯夫欧洲公司 2022-11-25 CN disclosed