SCHEMBL30006426

SCHEMBL30006426

C=C(C)CC(C)CC(=C)C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOB P27338 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL13177073 0.86 ALDH1A1 (0.50) TDP1HSD17B10MAOBALDH1A1
SCHEMBL25310271 0.84
SCHEMBL1258831 0.84
SCHEMBL14481182 0.84 HSD17B10 (0.33) TDP1HSD17B10MAOB
SCHEMBL31475713 0.84
SCHEMBL7591047 0.84
SCHEMBL14481003 0.84 HSD17B10 (0.33) TDP1HSD17B10MAOB
SCHEMBL28323661 0.84 SLC22A6 (0.38) TDP1ALDH1A1
SCHEMBL13537950 0.82
SCHEMBL10400159 0.82

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-115448947-A Halogenated phosphate containing branched chain, preparation method and application thereof 恒大新能源技术(深圳)有限公司 2022-12-09 CN disclosed