SCHEMBL182027

SCHEMBL182027

CN(C)CCCN(C(C)(C)O)C(C)(C)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.36
DNM1 Q05193 3/20 0.36
MAPT P10636 1/20 0.35
BCL2 P10415 2/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
KCNH2 Q12809 1/20 0.32
HRH4 Q9H3N8 2/20 0.32
CYP1A2 P05177 1/20 0.32
HRH2 P25021 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL123921 0.79 ALDH1A1 (0.43) ALDH1A1TSHRLMNADNM1MAPT
SCHEMBL13742211 0.78 ALDH1A1 (0.47) ALDH1A1TSHRLMNADNM1MAPT
SCHEMBL465330 0.76 ALDH1A1 (0.35) ALDH1A1
SCHEMBL440059 0.76 CA12 (0.36) ALDH1A1TSHRLMNADNM1
SCHEMBL4956096 0.74 CHRM2 (0.35) TDP1
SCHEMBL10697643 0.74 DNM1 (0.42) ALDH1A1TSHRLMNADNM1HSD17B10
SCHEMBL28157222 0.73 ALDH1A1 (0.38) ALDH1A1TSHRLMNADNM1MAPT
SCHEMBL212626 0.72
SCHEMBL1290871 0.72 ALDH1A1 (0.75) ALDH1A1TSHRDNM1MAPTHTR2A
SCHEMBL439341 0.72 DNM1 (0.46) ALDH1A1TSHRLMNADNM1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116285638-B Drinking water-level solvent-free single-component polyurethane waterproof coating and preparation method thereof 北京东方雨虹防水技术股份有限公司 2024-06-21 CN claimed
CN-116253853-B High-adhesion quick-release polyurethane composition, and method and application for preparing polyurethane product 黎明化工研究设计院有限责任公司 2024-06-04 CN claimed
CN-114957637-B Phosphorus-containing polyol and polyurethane foam material prepared from same 万华化学集团股份有限公司 2024-04-09 CN claimed
CN-116874737-A Composite material for low-rebound low-temperature noise-reduction earplug and preparation method thereof 长华化学科技股份有限公司 2023-10-13 CN claimed
CN-116874718-A Polyurethane slow rebound buffer material composition, preparation method and application thereof 长华化学科技股份有限公司 2023-10-13 CN claimed
US-11746203-B2 Low-density polyurethane foam composition as sound-absorbing material having improved appearance formability, smell reduction and sound absorption performance, method for manufacturing polyurethane foam and polyurethane foam manufactured therefrom HYUNDAI MOTOR COMPANY (KR) 2023-09-05 US claimed
CN-116333258-A Polyurethane anti-fatigue floor mat material, preparation method and application thereof 长华化学科技股份有限公司 2023-06-27 CN claimed
CN-116253853-A High-adhesion quick-release polyurethane composition, and method and application for preparing polyurethane product 黎明化工研究设计院有限责任公司 2023-06-13 CN claimed
EP-3161029-B1 PYRROLIDINE-BASED CATALYSTS FOR USE IN POLYURETHANE MATERIALS HUNTSMAN PETROCHEMICAL LLC (US) 2023-01-11 EP claimed
US-11542358-B2 Catalyst system for polyol premixes containing hydrohaloolefin blowing agents HUNTSMAN PETROCHEMICAL LLC (US) 2023-01-03 US claimed
US-20030032553-A1 Acid-blocked amine catalysts for the production of polyurethanes EVONIK OPERATIONS GMBH (DE) 2003-02-13 US claimed
EP-1273604-A1 Method for producing a rigid polyurethane foam Tosoh Corporation (JP) 2003-01-08 EP claimed
EP-1249461-A2 Acid-blocked amine catalysts for the production of polyurethanes AIR PRODUCTS AND CHEMICALS, INC. (US) 2002-10-16 EP claimed
US-6432864-B1 POLYMERIZATION CATALYST FOR POLYURETHANES AIR PRODUCTS AND CHEMICALS, INC. 2002-08-13 US claimed
EP-1153052-A1 PROCESS FOR THE PREPARATION OF AN AQUEOUS DISPERSION OF AN ANIONIC POLYURETHANE FREE OF VOLATILE TERTIARY AMINES STAHL INTERNATIONAL B.V. (NL) 2001-11-14 EP claimed
WO-2001027179-A1 PROCESS FOR THE PREPARATION OF AN AQUEOUS DISPERSION OF AN ANIONIC POLYURETHANE FREE OF VOLATILE TERTIARY AMINES STAHL INTERNATIONAL B.V. (NL) 2001-04-19 WO claimed
EP-0410467-B1 Process for producing high resilience Polyurethane foam TOSOH CORP (JP) 1996-12-18 EP claimed
US-5159050-A Protonation; complexed with anticoagulant BECTON, DICKINSON AND COMPANY (US) 1992-10-27 US claimed
US-5159051-A Tertiary amines in polymer chain; complexes; antithrombogenic agents BECTON, DICKINSON AND COMPANY (US) 1992-10-27 US claimed
EP-0410467-A2 Process for producing high resilience Polyurethane foam Tosoh Corporation (JP) 1991-01-30 EP claimed