SCHEMBL17846597

SCHEMBL17846597

[CH2]CC[N+](C)(C)C(=O)C(=C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
ACHE P22303 1/20 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
SCHEMBL12522537 0.81 MEN1 (0.36) TDP1ACHE
SCHEMBL17036766 0.81 BBOX1 (0.34) TDP1ACHE
Hydrochloric Acid SCHEMBL8682761 0.79 TSHR (0.35) TDP1
SCHEMBL725816 0.75 TDP1 (0.35) TDP1
Sulfuric Acid SCHEMBL11251084 0.74 APAF1 (0.31)
Hydrochloric Acid SCHEMBL31387077 0.73 THRB (0.34) TDP1
Hydrochloric Acid SCHEMBL28899726 0.73 TSHR (0.47)
Hydrochloric Acid SCHEMBL28899621 0.73 TSHR (0.47)
Hydrochloric Acid SCHEMBL28899670 0.73 TSHR (0.47)
Hydrochloric Acid SCHEMBL28899614 0.73 TSHR (0.47)

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
WO-2016100714-A1 COMPOSITIONS FOR SHAPING OR ALTERING THE SHAPE OF HAIR L'OREAL (FR) 2016-06-23 WO disclosed