SCHEMBL17847338

SCHEMBL17847338

C=CCCN(C)CCCN

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.52
TSHR P16473 3/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
DDAH1 O94760 1/20 0.31

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
SCHEMBL1243018 0.83 TSHR (0.42) TSHRALDH1A1
SCHEMBL11587714 0.80 CHRM2 (0.77) CHRM2TSHRALDH1A1TDP1
SCHEMBL15594 0.80 CHRM2 (0.77) CHRM2TSHRALDH1A1TDP1
SCHEMBL9494609 0.79
SCHEMBL16607438 0.79 TSHR (0.52) TSHRALDH1A1
SCHEMBL1242584 0.78 TSHR (0.48) CHRM2TSHRALDH1A1
SCHEMBL25989861 0.77 MAPT (0.35) CHRM2TSHRALDH1A1
Hydrochloric Acid SCHEMBL22575308 0.77 TSHR (0.50) TSHRALDH1A1
SCHEMBL22841356 0.77 TSHR (0.52) CHRM2TSHRALDH1A1
SCHEMBL19007027 0.77 CHRM2 (0.52) CHRM2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233260-B1 UNIVERSAL DISPERSANT NOURYON CHEMICALS INT BV (NL) 2019-08-28 EP claimed
US-20170327691-A1 UNIVERSAL DISPERSANT AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2017-11-16 US claimed
EP-3233260-A1 UNIVERSAL DISPERSANT Akzo Nobel Chemicals International B.V. (NL) 2017-10-25 EP claimed
WO-2016097162-A1 UNIVERSAL DISPERSANT AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2016-06-23 WO claimed