Hexadecane

Hexadecane

SCHEMBL1704463

CCCCCCCCCCCCCCCC.[H+]

nearest known ligand 0.89

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Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.89
THRB P10828 1/20 0.89
LMNA P02545 3/20 0.60
DNM1 Q05193 6/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HSD17B10 Q99714 1/20 0.57
SLC22A1 O15245 1/20 0.57

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
Octane SCHEMBL1052118 1.00
Decane SCHEMBL3845278 1.00 TSHR (0.89) TSHRTHRBLMNADNM1ALDH1A1
Heptane SCHEMBL9246831 1.00
Tetradecane SCHEMBL27789050 1.00 TSHR (0.89) TSHRTHRBLMNADNM1ALDH1A1
Heptane SCHEMBL23925128 0.95
Hexane SCHEMBL25197899 0.94
Tetradecane SCHEMBL23924271 0.94 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1
Hexadecane SCHEMBL23499901 0.94 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1
SCHEMBL23854647 0.94 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1
Undecane SCHEMBL20767628 0.94 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1

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-9492818-B2 SAPO molecular sieve catalysts and their preparation and uses ALBEMARLE EUROPE SPRL (BE) 2016-11-15 US disclosed
EP-2440328-B1 SAPO MOLECULAR SIEVE CATALYSTS AND THEIR PREPARATION AND USES ALBEMARLE EUROPE SPRL (BE) 2016-08-17 EP disclosed
EP-2440328-A2 SAPO MOLECULAR SIEVE CATALYSTS AND THEIR PREPARATION AND USES Albemarle Europe Sprl. (BE) 2012-04-18 EP disclosed
US-20100317910-A1 SAPO MOLECULAR SIEVE CATALYSTS AND THEIR PREPARATION AND USES ALBEMARLE EUROPE SPRL (BE) 2010-12-16 US disclosed
WO-2010142448-A2 SAPO MOLECULAR SIEVE CATALYSTS AND THEIR PREPARATION AND USES ALBEMARLE EUROPE SPRL (BE) 2010-12-16 WO disclosed
US-4510045-A Hydrocarbon dewaxing process using steam-activated alkali metal zeolite catalyst MOBIL OIL CORPORATION (US) 1985-04-09 US disclosed
EP-0134333-A1 Treatment of zeolites MOBIL OIL CORPORATION (US) 1985-03-20 EP disclosed
US-4443554-A Activation of alkali metal zeolite catalysts by steaming MOBIL OIL CORPORATION (US) 1984-04-17 US disclosed