SCHEMBL98702

SCHEMBL98702

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
CA1 P00915 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL465330 0.83 ALDH1A1 (0.35) ALDH1A1
SCHEMBL440059 0.82 CA12 (0.36) CA12CA2CA9CA1ALDH1A1
SCHEMBL10697643 0.80 DNM1 (0.42) CA12CA2CA9CA1ALDH1A1
SCHEMBL438629 0.78 DNM1 (0.46) CA12CA2CA9CA1ALDH1A1
SCHEMBL3534539 0.78 DNM1 (0.46) CA12CA2CA9CA1ALDH1A1
SCHEMBL439209 0.78 DNM1 (0.46) CA12CA2CA9CA1ALDH1A1
SCHEMBL439341 0.78 DNM1 (0.46) CA12CA2CA9CA1ALDH1A1
SCHEMBL438679 0.78 DNM1 (0.46) CA12CA2CA9CA1ALDH1A1
SCHEMBL29072645 0.78 CA12 (0.35) CA12CA2CA9CA1
SCHEMBL1010513 0.75 CA12 (0.33) CA12CA2CA9CA1ALDH1A1

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 253 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
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
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
EP-4359460-A1 POLYOL COMPOSITIONS AND METHODS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2024-05-01 EP disclosed
EP-0054151-A1 Photopolymerisable recording material and process for the production of relief forms by means of this recording material BASF Aktiengesellschaft (DE) 1982-06-23 EP disclosed
US-4142030-A POLYURETHANE-SILICATE BAYER AKTIENGESELLSCHAFT (DE) 1979-02-27 US disclosed
US-4042536-A POLYISOCYANATE, SILICIC ACID, XEROGEL BAYER AKTIENGESELLSCHAFT (DT) 1977-08-16 US disclosed