SCHEMBL714030

SCHEMBL714030

COC(=O)CCCCC(=O)OCCCCCCO

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
DGKA P23743 1/20 0.52
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
ACHE P22303 6/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
GAA P10253 1/20 0.44
DNM1 Q05193 1/20 0.43
NAAA Q02083 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL27904732 1.00 TSHR (0.52) TSHRDGKAALDH1A1LMNAACHE
SCHEMBL1087399 1.00 TSHR (0.52) TSHRDGKAALDH1A1LMNAACHE
SCHEMBL12092477 1.00 TSHR (0.52) TSHRDGKAALDH1A1LMNAACHE
SCHEMBL15362780 0.94 TSHR (0.52) TSHRDGKAALDH1A1ACHEGAA
SCHEMBL27843872 0.92 TSHR (0.56) TSHRDGKAALDH1A1LMNAPRSS1
SCHEMBL10749015 0.92 TSHR (0.54) TSHRDGKAALDH1A1LMNAACHE
SCHEMBL429505 0.92 TSHR (0.61) TSHRDGKAALDH1A1LMNAPRSS1
SCHEMBL26238717 0.90 TSHR (0.58) TSHRDGKAALDH1A1LMNAPRSS1
SCHEMBL17589192 0.90 DGKA (0.56) DGKAACHEPRSS1PRSS2PRSS3
SCHEMBL7262397 0.90 DGKA (0.56) DGKAACHEPRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236996-B2 Process for preparing 1,6-hexanediol BASF SE (DE) 2012-08-07 US disclosed
US-20120071624-A1 PROCESS FOR PREPARING 1,6-HEXANEDIOL BASE SE (DE) 2012-03-22 US disclosed
US-8124815-B2 Process for preparing 1,6-hexanediol BASF SE (DE) 2012-02-28 US disclosed
US-20110124925-A1 PROCESS FOR PREPARING 1,6-HEXANEDIOL BASF SE (DE) 2011-05-26 US disclosed
CN-1097038-C Method for producing 1,6-hexanediol BASF AG (DE) 2002-12-25 CN disclosed
US-6407294-B1 CATALYST HYDROGENATION OF ADIPIC ESTER OR 6-HYDROXYCAPROIC ESTER IN VAPOR PHASE BASF AKTIENGESELLSCHAFT (DE) 2002-06-18 US disclosed
EP-1042259-B1 METHOD FOR PRODUCING 1,6-HEXANEDIOL BASF AG (DE) 2002-03-13 EP disclosed
CN-1272835-A Process for preparing 1, 6-hexanediol BASF AG (DE) 2000-11-08 CN disclosed