SCHEMBL98701

SCHEMBL98701

CCCN(CC(C)O)CC(C)O

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
KCNA5 P22460 2/20 0.36
KDM4E B2RXH2 1/20 0.35
CA12 O43570 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
HSD17B10 Q99714 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 2/20 0.32
FDPS P14324 1/20 0.31
RAB9A P51151 1/20 0.31
CA1 P00915 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL18427267 0.95 TSHR (0.36) TSHRKCNA5KDM4ECA12CA2
SCHEMBL19774701 0.95 TSHR (0.36) TSHRKCNA5KDM4ECA12CA2
SCHEMBL9640527 0.95 TSHR (0.36) TSHRKCNA5KDM4ECA12CA2
SCHEMBL1010512 0.94 TSHR (0.40) TSHRKCNA5KDM4ECA12CA2
SCHEMBL9640875 0.91 TSHR (0.33) TSHRKCNA5KDM4ERECQLTDP1
SCHEMBL15833657 0.90 TSHR (0.36) TSHRKCNA5KDM4ECA12CA2
SCHEMBL14136244 0.89 TSHR (0.38) TSHRKCNA5KDM4EKMT2AALDH1A1
SCHEMBL18376638 0.89 TSHR (0.38) TSHRKCNA5KDM4E
SCHEMBL2058390 0.87 TSHR (0.35) TSHRKCNA5KDM4ECA12CA2
SCHEMBL20996691 0.85 KDM4E (0.34) TSHRKCNA5KDM4EHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447755-A Alcohol amine composition and use thereof as polyurethane blowing agent 山东理工大学 2024-01-26 CN claimed
CN-114805902-A Carbonic acid alkanolamine salt foaming agent composition for polyurethane rigid foam 山东理工大学 2022-07-29 CN claimed
CN-109153934-A Polyester dispersants, synthesis and application thereof 雪佛龙奥伦耐有限责任公司 2019-01-04 CN claimed
EP-2714615-B1 HARDENING ACCELERATOR FOR MINERAL BINDER SIKA TECH AG (CH) 2018-09-12 EP claimed
US-9221716-B2 Hardening accelerator for mineral binders SIKA TECHNOLOGY AG (CH) 2015-12-29 US claimed
US-20140076203-A1 HARDENING ACCELERATOR FOR MINERAL BINDERS SIKA TECHNOLOGY AG (CH) 2014-03-20 US claimed
WO-2012160211-A1 HARDENING ACCELERATOR FOR MINERAL BINDERS SIKA TECHNOLOGY AG (CH) 2012-11-29 WO claimed
WO-2011163250-A1 AQUEOUS POLYURETHANE DISPERSIONS NDSU RESEARCH FOUNDATION (US) 2011-12-29 WO claimed
JP-4796772-B2 2011-10-19 JP claimed
EP-1572773-B1 ORGANOMETALLIC-FREE POLYURETHANES HAVING LOW EXTRACTABLES LUBRIZOL ADVANCED MAT INC (US) 2008-07-09 EP claimed
US-20060100411-A1 Organometallic-free polyurethanes having low extractables LUBRIZOL ADVANCED MATERIALS, INC. 2006-05-11 US claimed
EP-1572773-A1 ORGANOMETALLIC-FREE POLYURETHANES HAVING LOW EXTRACTABLES Noveon IP Holdings Corp. (US) 2005-09-14 EP claimed
WO-2004060954-A1 ORGANOMETALLIC-FREE POLYURETHANES HAVING LOW EXTRACTABLES NOVEON IP HOLDINGS CORP. (US) 2004-07-22 WO claimed
US-20040122202-A1 Organometallic-free polyurethanes having low extractables NOVEON, INC. 2004-06-24 US claimed
EP-0088485-B2 A PROCESS FOR THE REMOVAL OF HYDROGEN SULFIDE FROM GASEOUS MIXTURES WITH STRONGLY BASIC TERTIARY AMINO COMPOUNDS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1989-09-13 EP claimed
US-4545965-A ABSORPTION WITH AN ANHYDROUS OSLUTION OF A TERITARY AMINE AND AN O SNAMPROGETTI, S.P.A. (IT) 1985-10-08 US claimed
CN-110874026-B Stripping liquid composition for color filter and method for using same 易案爱富科技有限公司 2024-07-12 CN disclosed
EP-3927795-B1 MULTIFUNCTIONAL ADDITIVE COMPOUNDS HUNTSMAN PETROCHEMICAL LLC (US) 2024-05-22 EP disclosed
US-4042536-A POLYISOCYANATE, SILICIC ACID, XEROGEL BAYER AKTIENGESELLSCHAFT (DT) 1977-08-16 US disclosed
US-4028307-A CONTINUOUS PROCESS, POLYETHYLENE TEREPHTHALATE FIBER INDUSTRIES, INC. (US) 1977-06-07 US disclosed