SCHEMBL11047381

SCHEMBL11047381

CC(C#N)N(CCO)CCO

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
DPP4 P27487 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
SCHEMBL11675330 0.77 FDPS (0.34) MAPTTSHR
SCHEMBL29273614 0.73 TSHR (0.40) TSHR
Water SCHEMBL3302021 0.73 MAPT (0.40) MAPTTSHRMEN1KMT2AALDH1A1
SCHEMBL298413 0.70
SCHEMBL11047386 0.70 TSHR (0.32) TSHRDPP4
SCHEMBL6326627 0.69 MAPT (0.42) MAPTTSHRMEN1KMT2AALDH1A1
SCHEMBL79660 0.69 MAPT (0.42) MAPTTSHRMEN1KMT2AALDH1A1
SCHEMBL1582129 0.69 CYP1A2 (0.44) TSHRDPP4
SCHEMBL16580145 0.69 CYP1A2 (0.44) TSHRDPP4
Water SCHEMBL28633420 0.69 MAPT (0.36) MAPTTSHRMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0025142-B1 POLYQUATERNARY AMMONIUM COMPOUNDS, THEIR PREPARATION, THEIR USE IN PAPER MANUFACTURING AND PAPER TREATING AGENTS CONTAINING THEM BAYER AG (DE) 1984-08-08 EP disclosed
US-4423194-A IMIDATION OF COPOLYMERS OF MALEIC ANHYDRIDE AND AN OLEFIN WITH AN AMINE BAYER AKTIENGESELLSCHAFT (DE) 1983-12-27 US disclosed
EP-0025142-A1 Polyquaternary ammonium compounds, their preparation, their use in paper manufacturing and paper treating agents containing them BAYER AG (DE) 1981-03-18 EP disclosed