SCHEMBL6443709

SCHEMBL6443709

CCN1CCCCC1CCCl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR5 Q9H228 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.37
SLC6A4 P31645 1/20 0.36
HTT P42858 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
TSHR P16473 1/20 0.35
PIM1 P11309 1/20 0.35
S1PR4 O95977 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL6444302 0.94 ALDH1A1 (0.45) ALDH1A1S1PR1S1PR3S1PR5L3MBTL1
SCHEMBL3119460 0.86 S1PR1 (0.46) S1PR1S1PR3S1PR5CYP1A2TSHR
SCHEMBL10741442 0.85 ALDH1A1 (0.41) ALDH1A1S1PR1S1PR3S1PR5L3MBTL1
SCHEMBL5967924 0.83 S1PR1 (0.54) S1PR1S1PR3S1PR5CYP1A2TSHR
Hydrochloric Acid SCHEMBL28640015 0.83 ALDH1A1 (0.40) ALDH1A1S1PR1S1PR3S1PR5L3MBTL1
SCHEMBL1275000 0.83 S1PR1 (0.44) ALDH1A1S1PR1S1PR3S1PR5L3MBTL1
SCHEMBL20093338 0.83 S1PR1 (0.44) ALDH1A1S1PR1S1PR3S1PR5L3MBTL1
SCHEMBL1274998 0.83 S1PR1 (0.44) ALDH1A1S1PR1S1PR3S1PR5L3MBTL1
SCHEMBL11200677 0.82 ALDH1A1 (0.42) ALDH1A1S1PR1S1PR3S1PR5L3MBTL1
SCHEMBL3127708 0.81 CYP1A2 (0.33) ALDH1A1S1PR1S1PR3S1PR5L3MBTL1

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 6 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
US-6184338-B1 USEFUL IN THE PREPARATION OF TERTIARY AMINE CONTAINING POLYMERS, INCLUDING LINEAR, HOMOTELECHELIC, HETEROTELECHELIC AND RADIAL POLYMERS. FMC CORPORATION 2001-02-06 US disclosed