SCHEMBL7657706

SCHEMBL7657706

CC[N+](CC)(CC)C(C)N

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
OPRM1 P35372 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
Iodide SCHEMBL28396597 0.97 ALDH1A1 (0.32) ALDH1A1
Hydrochloric Acid SCHEMBL27718782 0.97 KDM4E (0.33) ALDH1A1
Water SCHEMBL28248888 0.97 ALDH1A1 (0.32) ALDH1A1
Bromide SCHEMBL10578068 0.97 ALDH1A1 (0.32) ALDH1A1
SCHEMBL15303838 0.76 SLC22A1 (0.43) ALDH1A1OPRM1TSHR
Hydrochloric Acid SCHEMBL28862251 0.76 TSHR (0.35) TSHR
SCHEMBL349518 0.69 TSHR (0.33) TSHR
SCHEMBL1960185 0.69
SCHEMBL27898010 0.69
SCHEMBL7473067 0.69 ALDH1A1 (0.32) ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495714-B1 PREPARING ALKANESULFONIC ACIDS FROM DIALKYL SULFITES PREPARED FROM AN EPOXY AND SULFUR DIOXIDE BASF AKTIENGESELLSCHAFT (DE) 2002-12-17 US claimed
CN-108722479-B Ionic liquid catalyst, preparation method and application thereof 华中科技大学 2020-05-19 CN disclosed
CN-108572515-A Coloured composition, coloring cured film, colored filter, display element, light receiving element, light-emitting component and pigment compound JSR株式会社 2018-09-25 CN disclosed
CN-101142239-A Spherical polymer fine particles and process for producing the same NISSHIN SPINNING (JP) 2008-03-12 CN disclosed
EP-0171072-A2 Method and device for the solid-phase sequencing of nucleic-acid fragments Akademie der Wissenschaften der DDR (DE) 1986-02-12 EP disclosed