SCHEMBL4452594

SCHEMBL4452594

CCCCOC(=O)CC(NCCC[Si](OCC)(OCC)OCC)C(=O)OCCCC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACHE P22303 9/20 0.34
NAAA Q02083 1/20 0.33
FAAH O00519 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4452598 1.00 MAPT (0.35) MAPTALDH1A1LMNAHPGDTSHR
SCHEMBL8474376 0.88 MAPT (0.35) MAPTALDH1A1LMNAHSD17B10MAPK1
SCHEMBL7065761 0.88 MAPT (0.35) MAPTALDH1A1LMNAHSD17B10MAPK1
SCHEMBL1931813 0.87 KMT2A (0.38) ALDH1A1HPGDTSHRHSD17B10L3MBTL1
SCHEMBL1931815 0.87 KMT2A (0.38) ALDH1A1HPGDTSHRHSD17B10L3MBTL1
SCHEMBL729761 0.85 ALDH1A1 (0.37) MAPTALDH1A1LMNAHPGDTSHR
SCHEMBL728349 0.83 ALDH1A1 (0.35) MAPTALDH1A1LMNAHPGDTSHR
SCHEMBL728425 0.82 ALDH1A1 (0.37) MAPTALDH1A1LMNAHPGDTSHR
SCHEMBL4447146 0.81 TSHR (0.31) TSHR
SCHEMBL4447143 0.81 TSHR (0.31) TSHR

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957417-B2 Fast cure aspartate polysiloxane hybrid coating COVESTRO LLC (US) 2018-05-01 US claimed
EP-2970716-A1 FAST CURE ASPARTATE POLYSILOXANE HYBRID COATING Covestro LLC (US) 2016-01-20 EP claimed
US-20150291846-A1 Fast Cure Aspartate Polysiloxane Hybrid Coating COVESTRO LLC 2015-10-15 US claimed
US-9085712-B2 Fast cure aspartate polysiloxane hybrid coating BAYER MATERIALSCIENCE LLC (US) 2015-07-21 US claimed
WO-2014159307-A1 FAST CURE ASPARTATE POLYSILOXANE HYBRID COATING BAYER MATERIALSCIENCE LLC (US) 2014-10-02 WO claimed
US-20140272424-A1 FAST CURE ASPARTATE POLYSILOXANE HYBRID COATING COVESTRO LLC 2014-09-18 US claimed
WO-2020129955-A1 MOISTURE-CURABLE HOT-MELT ADHESIVE セメダイン株式会社 2020-06-25 WO disclosed
US-9957417-B2 Fast cure aspartate polysiloxane hybrid coating COVESTRO LLC (US) 2018-05-01 US disclosed
EP-2970716-A1 FAST CURE ASPARTATE POLYSILOXANE HYBRID COATING Covestro LLC (US) 2016-01-20 EP disclosed
US-20150291846-A1 Fast Cure Aspartate Polysiloxane Hybrid Coating COVESTRO LLC 2015-10-15 US disclosed
US-9085712-B2 Fast cure aspartate polysiloxane hybrid coating BAYER MATERIALSCIENCE LLC (US) 2015-07-21 US disclosed
WO-2014159307-A1 FAST CURE ASPARTATE POLYSILOXANE HYBRID COATING BAYER MATERIALSCIENCE LLC (US) 2014-10-02 WO disclosed
US-20140272424-A1 FAST CURE ASPARTATE POLYSILOXANE HYBRID COATING COVESTRO LLC 2014-09-18 US disclosed
US-7635743-B2 alkoxysilane-terminated polyesterurethane copolymer was obtained in presence of bis-(N, N'-dimethylaminoethyl) ether polymerization catalyst; blocked isocyanates; stable storage at a high temperature and cures very rapidly under the atmosphere; for gluing the most diverse substrates BAYER MATERIALSCIENCE AG (DE) 2009-12-22 US disclosed
US-20060142532-A1 Moisture-curing composition and hot-melt adhesive BAYER MATERIALSCIENCE AG 2006-06-29 US disclosed
US-5364955-A Compounds containing alkoxysilane and amino groups BAYER AKTIENGESELLSCHAFT (DE) 1994-11-15 US disclosed