SCHEMBL4917701

SCHEMBL4917701

CCCCC(CC)CNCCNCCNCCNCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
TSHR P16473 2/20 0.51
CYP3A4 P08684 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CHRM2 P08172 1/20 0.49
MAOA P21397 1/20 0.46
SIGMAR1 Q99720 4/20 0.44
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL3400591 0.91 ALDH1A1 (0.61) ALDH1A1KDM4ETSHRCYP3A4MEN1
SCHEMBL7603827 0.86 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRCYP3A4MEN1
SCHEMBL23665707 0.85 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRCYP3A4MEN1
SCHEMBL4897397 0.85 ALDH1A1 (0.58) ALDH1A1KDM4ETSHRCYP3A4SIGMAR1
N-Benzylmethylamine SCHEMBL10738170 0.84 ALDH1A1 (0.61) ALDH1A1KDM4ETSHRCYP3A4MEN1
SCHEMBL7605067 0.81 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRCYP3A4MEN1
SCHEMBL4913063 0.80 TSHR (0.78) ALDH1A1KDM4ETSHRCYP3A4MEN1
SCHEMBL4914939 0.80 TSHR (0.78) ALDH1A1KDM4ETSHRCYP3A4MEN1
SCHEMBL5034731 0.80 TSHR (0.78) ALDH1A1KDM4ETSHRCYP3A4MEN1
SCHEMBL21648486 0.80 HRH4 (0.51) ALDH1A1KDM4ETSHRCYP3A4CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP claimed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP claimed
US-20080090922-A1 Crosslinkers for improving stability of polyurethane foams EVONIK OPERATIONS GMBH (DE) 2008-04-17 US claimed
EP-4662256-A1 A TRANSPARENT PUD AND ITS APPLICATION Covestro Deutschland AG (DE) 2025-12-17 EP disclosed
US-12435177-B2 Aqueous polyurethane resin composition and coating material using the composition COVESTRO DEUTSCHLAND AG (DE) 2025-10-07 US disclosed
EP-4435029-A1 A TRANSPARENT PUD AND ITS APPLICATION Covestro Deutschland AG (DE) 2024-09-25 EP disclosed
WO-2024164160-A1 A TRANSPARENT PUD AND ITS APPLICATION COVESTRO DEUTSCHLAND AG (DE) 2024-08-15 WO disclosed
WO-2024165520-A1 A TRANSPARENT PUD AND ITS APPLICATION COVESTRO DEUTSCHLAND AG (DE) 2024-08-15 WO disclosed
US-20230048853-A1 AQUEOUS POLYURETHANE RESIN COMPOSITION AND COATING MATERIAL USING THE COMPOSITION COVESTRO DEUTSCHLAND AG (DE) 2023-02-16 US disclosed
EP-4085087-A1 AQUEOUS POLYURETHANE RESIN COMPOSITION AND COATING MATERIAL USING THE COMPOSITION Covestro Intellectual Property GmbH & Co. KG (DE) 2022-11-09 EP disclosed
CN-114867763-A Aqueous polyurethane resin composition and coating material using the same 科思创知识产权两合公司 2022-08-05 CN disclosed
US-20150353768-A1 AQUEOUS POLYURETHANE RESIN DISPERSION AND USE THEREOF UBE INDUSTRIES, LTD. (JP) 2015-12-10 US disclosed
EP-2940052-A1 AQUEOUS POLYURETHANE RESIN DISPERSION AND USE OF SAME UBE Industries, Ltd. (JP) 2015-11-04 EP disclosed
US-9169420-B2 Aqueous polyurethane resin dispersion and coating composition comprising the same UBE INDUSTRIES, LTD. (JP) 2015-10-27 US disclosed
US-20140088246-A1 AQUEOUS POLYURETHANE RESIN DISPERSION AND COATING COMPOSITION COMPRISING THE SAME UBE INDUSTRIES, LTD. (JP) 2014-03-27 US disclosed
US-8552078-B2 Non-fugitive tertiary amine catalyst and alkylated polyamine crosslinking additives; aging resistance AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-10-08 US disclosed
US-8552078-B2 Non-fugitive tertiary amine catalyst and alkylated polyamine crosslinking additives; aging resistance AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-10-08 US disclosed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP disclosed
US-20080090922-A1 Crosslinkers for improving stability of polyurethane foams EVONIK OPERATIONS GMBH (DE) 2008-04-17 US disclosed
US-20080090922-A1 Crosslinkers for improving stability of polyurethane foams EVONIK OPERATIONS GMBH (DE) 2008-04-17 US disclosed