SCHEMBL6446808

SCHEMBL6446808

CCN(C)CCCCCCCl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.41
CHRM2 P08172 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
HBB P68871 1/20 0.39
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
DNM1 Q05193 3/20 0.36
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
GGPS1 O95749 3/20 0.31
SIGMAR1 Q99720 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
SCHEMBL6447036 1.00 TSHR (0.46) TSHRALDH1A1MAPTCHRM2LMNA
SCHEMBL6451345 0.97
SCHEMBL479046 0.89
Hydrochloric Acid SCHEMBL11596998 0.86
SCHEMBL31325281 0.86 MAPT (0.56) TSHRALDH1A1MAPTCHRM2LMNA
SCHEMBL15958687 0.86 CHRM2 (0.50) TSHRALDH1A1CHRM2KDM5AKDM4C
SCHEMBL401549 0.83 CHRM2 (0.45) TSHRALDH1A1CHRM2KDM5AKDM4C
SCHEMBL11825151 0.82 TSHR (0.50) TSHRALDH1A1MAPTCHRM2LMNA
Bromide SCHEMBL8466957 0.80 TSHR (0.62) TSHRALDH1A1MAPTCHRM2LMNA
SCHEMBL13856002 0.80 CHRM2 (0.50) TSHRALDH1A1MAPTCHRM2LMNA

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-6858679-B2 Compositions providing improved functionalization of terminal anions and processes for improved functionalization of terminal anions FMC CORPORATION (US) 2005-02-22 US disclosed
US-20030153693-A1 Compositions providing improved functionalization of terminal anions and processes for improved functionalization of terminal anions QUIRK RODERIC PAUL (US) 2003-08-14 US disclosed
US-6605564-B1 Anionic polymerization initiators and salt additives selected from sodium chloride, sodium iodide, potassium chloride, potassium t-butoxide, for increasing the efficiency of reactions between living polymer anions and electrophiles FMC CORPORATION 2003-08-12 US disclosed
US-6545103-B2 Living polymers FMC CORPORATION 2003-04-08 US disclosed
US-20020010082-A1 Compositions providing improved functionalization of terminal anions and processes for improved functionalization of terminal anions FMC CORPORATION 2002-01-24 US disclosed