SCHEMBL3389305

SCHEMBL3389305

CCCC(CC)CCCC(O)CC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CA2 P00918 2/20 0.41
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.34
GPR84 Q9NQS5 4/20 0.33
ATM Q13315 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FFAR1 O14842 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL5292674 0.88 ALDH1A1 (0.48) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL20298330 0.87 ALDH1A1 (0.44) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL5607653 0.85 ALDH1A1 (0.37) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL6286717 0.82 FFAR4 (0.40) ALDH1A1TSHRLMNAGPR84FFAR4
SCHEMBL3829700 0.82 TSHR (0.41) ALDH1A1CA2TSHRLMNAGPR84
SCHEMBL28569252 0.82 TSHR (0.41) ALDH1A1CA2TSHRLMNAGPR84
SCHEMBL28572356 0.82 TSHR (0.41) ALDH1A1CA2TSHRLMNAGPR84
SCHEMBL29093244 0.82 TSHR (0.41) ALDH1A1CA2TSHRLMNAGPR84
SCHEMBL4606706 0.81 ALDH1A1 (0.44) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL4601538 0.81 ALDH1A1 (0.56) ALDH1A1CA2TDP1CYP3A4TSHR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501775-B9 ALKOXYLATE MIXTURES AND DETERGENTS CONTAINING THE SAME BASF SE (DE) 2012-09-26 EP disclosed
EP-1501775-B1 ALKOXYLATE MIXTURES AND DETERGENTS CONTAINING THE SAME BASF SE (DE) 2010-12-29 EP disclosed
CN-100412044-C Method for producing alkanol alkoxylates at optimal reaction temperatures BASF AG (DE) 2008-08-20 CN disclosed
US-7348460-B2 Method for producing alkanol alkoxylates at optimal reaction temperatures BASF AKTIENGESELLSCHAFT (DE) 2008-03-25 US disclosed
US-7335235-B2 Alkoxylate mixtures and detergents containing the same BASF AKIENGESELLSCHAFT (DE) 2008-02-26 US disclosed
US-7332465-B2 Alkoxylates exhibiting low residual alcohol content BASF AKTIENGESELLSCHAFT (DE) 2008-02-19 US disclosed
EP-1542954-B1 METHOD FOR PRODUCING ALKANOL ALKOXYLATES AT OPTIMAL REACTION TEMPERATURES BASF AG (DE) 2008-01-02 EP disclosed
CN-1312099-C Alkoxylate mixture and detergent containing same BASF AG (DE) 2007-04-25 CN disclosed
CN-1296337-C Alkoxylates with low residual alcohol content BASF AG (DE) 2007-01-24 CN disclosed
US-20060052648-A1 Method for producing alkanol alkoxylates at optimal reaction temperatures BASF AKTIENGESELLSCHAFT (DE) 2006-03-09 US disclosed
CN-1688529-A Alkoxylates exhibiting low residual alcohol content BASF AG (DE) 2005-10-26 CN disclosed
CN-1688528-A Method for producing alkanol alkoxylates at optimal reaction temperatures BASF AG (DE) 2005-10-26 CN disclosed
CN-1662482-A Alkoxylate mixtures and detergents containing the same BASF AG (DE) 2005-08-31 CN disclosed
US-20050170991-A1 Alkoxylate mixtures and detergents containing the same BASF AKTIENGESELLSCHAFT (DE) 2005-08-04 US disclosed
EP-1542954-A1 METHOD FOR PRODUCING ALKANOL ALKOXYLATES AT OPTIMAL REACTION TEMPERATURES BASF AKTIENGESELLSCHAFT (DE) 2005-06-22 EP disclosed
EP-1542955-A1 ALKOXYLATES EXHIBITING LOW RESIDUAL ALCOHOL CONTENT BASF AKTIENGESELLSCHAFT (DE) 2005-06-22 EP disclosed
EP-1501775-A1 ALKOXYLATE MIXTURES AND DETERGENTS CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2005-02-02 EP disclosed
WO-2004033405-A1 ALKOXYLATES EXHIBITING LOW RESIDUAL ALCOHOL CONTENT BASF AKTIENGESELLSCHAFT (DE) 2004-04-22 WO disclosed
WO-2004033403-A1 METHOD FOR PRODUCING ALKANOL ALKOXYLATES AT OPTIMAL REACTION TEMPERATURES BASF AKTIENGESELLSCHAFT (DE) 2004-04-22 WO disclosed
WO-2003091190-A1 ALKOXYLATE MIXTURES AND DETERGENTS CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2003-11-06 WO disclosed