SCHEMBL907968

SCHEMBL907968

CCCC(C)C.CCCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
LMNA P02545 2/20 0.39
OPRM1 P35372 1/20 0.35
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
CYP3A4 P08684 2/20 0.33
NFKB1 P19838 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CA1 P00915 2/20 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
SCHEMBL2487739 1.00
SCHEMBL29399686 1.00
SCHEMBL4635 1.00
Hydrochloric Acid SCHEMBL6130399 0.96
Butane SCHEMBL11462630 0.96 TSHR (0.42) TSHRLMNAOPRM1CHRM1AKR1A1
Hydrogen Sulfide SCHEMBL5675257 0.96
Hydrochloric Acid SCHEMBL8586868 0.96
Ammonia Solution, Strong SCHEMBL3288253 0.96
Ammonia Solution, Strong SCHEMBL374068 0.96
Water SCHEMBL3346079 0.96 TSHR (0.42) TSHRLMNAOPRM1CHRM1AKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110511107-A A method of polytypic n-hexane is produced using C5 oil is reformed SHANDONG CHAMBROAD PETROCHEMICALS CO LTD 2019-11-29 CN disclosed
CN-110330948-A Organic Rankine Cycle isopentane/hexamethylene working medium suitable for 270 DEG C of heat sources 北京建筑大学 2019-10-15 CN disclosed
CN-110257012-A Organic Rankine Cycle 3-pentafluorobutane/hexamethylene working medium suitable for 270 DEG C of heat sources 北京建筑大学 2019-09-20 CN disclosed
CN-107966518-A A kind of processing method of smoke-free tobacco product and the assay method of smoke-free tobacco product small molecular aldehyde 中国烟草总公司郑州烟草研究院 2018-04-27 CN disclosed
US-9023958-B2 Methods and systems for catalyst delivery UNIVATION TECHNOLOGIES, LLC (US) 2015-05-05 US disclosed
US-20140378640-A1 Methods and Systems for Catalyst Delivery UNIVATION TECHNOLOGIES, LLC (US) 2014-12-25 US disclosed
CN-102510898-B Process for the preparation of isohumulone compositions KALAMAZOO HOLDINGS INC 2014-05-21 CN disclosed
US-8263140-B1 Pomegranate based skin protectant and topical application POM WONDERFUL, LLC (US) 2012-09-11 US disclosed
CN-102510898-A Process for the preparation of isohumulone compositions KALAMAZOO HOLDINGS INC 2012-06-20 CN disclosed
CN-102351628-A Method for removing methanol from mixed solvent of isohexane and methanol JINAN SHENGQUAN GROUP SHARE HOLDING CO LTD 2012-02-15 CN disclosed
US-20110175015-A1 Azeotrope-Like Compositions Comprising Trans-1-Chloro-3,3,3-Trifluoropropene HONEYWELL INTERNATIONAL INC. (US) 2011-07-21 US disclosed
US-7943185-B1 Method and composition for producing a stable and deodorized form of pomegranate seed oil POM WONDERFUL, LLC (US) 2011-05-17 US disclosed
US-20110065817-A1 Process for recycling articles based on a fiber reinforced polymer SOLVAY (SOCIETE ANONYME) (BE) 2011-03-17 US disclosed
EP-2276801-A1 PROCESS FOR RECYCLING ARTICLES BASED ON A FIBRE REINFORCED POLYMER SOLVAY (Société Anonyme) (BE) 2011-01-26 EP disclosed
CN-101309921-A Use of pyrrolo[2,3-B]pyridines to prepare a medicament for treating pain NOVARTIS AG (CH) 2008-11-19 CN disclosed
WO-2008119773-A1 AMIDE DERIVATIVES AS INHIBITORS OF ASPARTYL PROTEASES MEDIVIR AB (SE) 2008-10-09 WO disclosed
CN-1642913-A Piperidine or 8-aza-bicyclo[3.2.1]oct-3-yl derivatives useful as modulators of chemokine receptor activity (especially CCR5) ASTRAZENECA AB (SE) 2005-07-20 CN disclosed
WO-2001044145-A1 METHOD FOR THE MANUFACTURE OF OLEFINS FORTUM OIL AND GAS OY (FI) 2001-06-21 WO disclosed
CN-1149333-A Sanitizable slider diaphragm valve MILLIPORE CORP (US) 1997-05-07 CN disclosed
US-4935101-A Process for the recovery of a water-insoluble epoxy alcohol ARCO CHEMICAL TECHNOLOGY, INC. (US) 1990-06-19 US disclosed