SCHEMBL4332483

SCHEMBL4332483

CC[N+](CC)(CC)CCC(O)Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.36
NFKB1 P19838 1/20 0.35
KCNA1 Q09470 1/20 0.35
DNM1 Q05193 4/20 0.35
KDM4E B2RXH2 1/20 0.33
PMP22 Q01453 1/20 0.33
ATM Q13315 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
Hydrochloric Acid SCHEMBL8859544 0.97 KDM4E (0.38) TSHRALDH1A1NFKB1KCNA1DNM1
Hydrochloric Acid SCHEMBL8687040 0.83 DNM1 (0.41) TSHRALDH1A1NFKB1KCNA1DNM1
SCHEMBL4952576 0.78
Hydrochloric Acid SCHEMBL27959033 0.76 KDM4E (0.42) TSHRALDH1A1NFKB1KCNA1DNM1
Hydrochloric Acid SCHEMBL10722105 0.76 CYP3A4 (0.41) TSHRALDH1A1NFKB1DNM1KDM4E
Water SCHEMBL3304691 0.76 TSHR (0.40) TSHRALDH1A1NFKB1KCNA1DNM1
Hydrochloric Acid SCHEMBL336333 0.76 CYP3A4 (0.41) TSHRALDH1A1NFKB1DNM1KDM4E
Hydrochloric Acid SCHEMBL8859587 0.75 BBOX1 (0.34)
Hydrochloric Acid SCHEMBL8859622 0.75 DNM1 (0.36) DNM1
Ether SCHEMBL3714399 0.72 ALDH1A1 (0.31) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1564595-B1 Composition for cleaning microelectronic substrates containing halogen oxygen acids MALLINCKRODT BAKER INC (US) 2009-11-18 EP disclosed
US-7521406-B2 Microelectronic cleaning composition containing halogen oxygen acids, salts and derivatives thereof MALLINCKRODT BAKER, INC (US) 2009-04-21 US disclosed
EP-1847880-A2 Composition for cleaning microelectronic substrates containing halogen oxygen acids and derivatives thereof Mallinckrodt Baker, Inc. (US) 2007-10-24 EP disclosed
EP-1840659-A2 Composition for cleaning microelectronic substrates containing halogen oxygen acids and derivatives thereof Mallinckrodt Baker, Inc. (US) 2007-10-03 EP disclosed
WO-2005083523-A1 MICROELECTRONIC CLEANING COMPOSITION CONTAINING HALOGEN OXYGEN ACIDS, SALTS AND DERIVATIVES THEREOF MALLINCKRODT BAKER INC. (US) 2005-09-09 WO disclosed
EP-1564595-A2 Composition for cleaning microelectronic substrates containing halogen oxygen acids and derivatives thereof Mallinckrodt Baker, Inc. (US) 2005-08-17 EP disclosed
US-20050176603-A1 Microelectronic cleaning composition containing halogen oxygen acids, salts and derivatives thereof RELIABLE BIOPHARMACEUTICAL, LLC 2005-08-11 US disclosed