SCHEMBL1952602

SCHEMBL1952602

NCCCc1cccc(N)c1CCCN

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.39
MPO P05164 2/20 0.39
SLC6A4 P31645 2/20 0.39
TAAR1 Q96RJ0 8/20 0.38
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
PIK3CA P42336 1/20 0.36
MAOA P21397 1/20 0.34
CYP2A6 P11509 1/20 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
Hydrochloric Acid SCHEMBL9110884 0.98 TLR8 (0.38) TLR8MPOSLC6A4TAAR1CYP3A4
SCHEMBL28402775 0.87 TAAR1 (0.43) TLR8MPOSLC6A4TAAR1MAOA
SCHEMBL9843984 0.82 CYP3A4 (0.36) SLC6A4CYP3A4TSHRPIK3CA
SCHEMBL140512 0.82 SKP2 (0.43) TLR8CYP3A4TSHRPIK3CA
SCHEMBL8589255 0.80 MAOA (0.48) TLR8MPOSLC6A4TAAR1MAOA
SCHEMBL5928190 0.80 SIGMAR1 (0.43) TLR8MPOSLC6A4TAAR1CYP3A4
SCHEMBL30498596 0.80 SIGMAR1 (0.43) TLR8MPOSLC6A4TAAR1CYP3A4
SCHEMBL4629783 0.79 MPO (0.39) TLR8MPOSLC6A4TAAR1MAOA
SCHEMBL119639 0.79 LIPG (0.49) TLR8
SCHEMBL4308876 0.79 LIPG (0.49) TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332998-B1 Solvent free aqueous polyurethane dispersions and methods of making and using the same VERSUM MAT US LLC (US) 2018-09-26 EP disclosed
US-9617453-B2 Solvent free aqueous polyurethane dispersions and methods of making and using the same AIR PRODUCTS AND CHEMICALS, INC. (US) 2017-04-11 US disclosed
US-20110306724-A1 Solvent Free Aqueous Polyurethane Dispersions and Methods of Making and Using the Same AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-12-15 US disclosed
EP-2332998-A1 Solvent free aqueous polyurethane dispersions and methods of making and using the same Air Products and Chemicals, Inc. (US) 2011-06-15 EP disclosed
US-20020055602-A1 Aromatic polyisocyanates blocked by pyrazole or pyrazole derivatives and the preparation and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2002-05-09 US disclosed
EP-1184400-A1 Aromatic polyisocyanates blocked with pyrazole or pyrazole derivatives, process for their preparation and their use BAYER AG (DE) 2002-03-06 EP disclosed
US-5693737-A POLYETHERURETHANES FOR PREPARING CREASE-RESISTANT TEXTILES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-02 US disclosed
US-5607482-A BLOCKED POLYISOCYANATE BAYER AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
EP-0449041-B1 Blends of cellulose and synthetic polymers, manufacture and uses thereof WOLFF WALSRODE AG (DE) 1996-09-11 EP disclosed
EP-0537578-B1 Blocked polyisocyanate dispersable in water, process for its preparation and its use BAYER AG (DE) 1996-07-31 EP disclosed
US-4324716-A -POLYURETHANE FOAMS BAYER AKTIENGESELLSCHAFT (DE) 1982-04-13 US disclosed
US-4315859-A STABILIZES PROVIDE PHOTSTABILITY OXIDATION RESISTANCE CIBA-GEIGY CORPORATION (US) 1982-02-16 US disclosed
US-4310448-A POLYETHER OR POLYESTER DISPERSANTS FOR POLYURETHANES OR POLUREAS BAYER AKTIENGESELLSCHAFT (DE) 1982-01-12 US disclosed
US-4305858-A Process for the preparation of stable ionic dispersions of polyisocyanate-polyaddition products in hydroxyl containing compounds BAYER AKTIENGESELLSCHAFT (DE) 1981-12-15 US disclosed
EP-0013665-A1 Polymeric polyamino 1,3,5-triazines containing at least one polyalkylpiperidine group, their preparation, their use in stabilizing an organic material and the material stabilized therewith CIBA-GEIGY AG (CH) 1980-07-23 EP disclosed
US-4184990-A Process for the preparation of stable dispersions of polyisocyanate-polyaddition products in a hydroxyl containing compound as dispersing agent BAYER AKTIENGESELLSCHAFT (DE) 1980-01-22 US disclosed
US-4147680-A Production of polyurethane resins using as active hydrogen material a stable dispersion of ionic polyisocyanate-polyaddition products in hydroxyl containing compounds as a dispersing agent BAYER AKTIENGESELLSCHAFT (DE) 1979-04-03 US disclosed
US-4092275-A Polyurethane resins prepared from active hydrogen containing material which is a dispersion of polyisocyanate-polyaddition products in hydroxyl containing compounds as dispersing agents BAYER AKTIENGESELLSCHAFT (DT) 1978-05-30 US disclosed
US-4083847-A Transiently water-soluble disperse mono-azo dyes containing a diamino-methylene-carbacyl group CIBA-GEIGY CORPORATION (US) 1978-04-11 US disclosed
US-3970601-A COATINGS BAYER AKTIENGESELLSCHAFT (DT) 1976-07-20 US disclosed