SCHEMBL18558149

SCHEMBL18558149

C=C(C)C(=O)OCCOC(=O)NCC(C)(C)CC(C)CCNC(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
TSHR P16473 3/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ACHE P22303 7/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
EPHX1 P07099 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
SCHEMBL181998 0.96 THRB (0.37) THRBTSHRHRH4HRH3ACHE
SCHEMBL17075532 0.93 THRB (0.40) THRBTSHRHRH4HRH3ACHE
SCHEMBL21547311 0.93 THRB (0.35) THRBTSHRHRH4HRH3ACHE
SCHEMBL4094910 0.93 TSHR (0.43) THRBTSHRHRH4HRH3ACHE
SCHEMBL28572695 0.93 THRB (0.40) THRBTSHRHRH4HRH3ACHE
SCHEMBL20460074 0.92 THRB (0.34) THRBTSHRHRH4HRH3ACHE
SCHEMBL472550 0.92 ACHE (0.38) THRBTSHRHRH4HRH3ACHE
SCHEMBL22663545 0.92 THRB (0.34) THRBTSHRHRH4HRH3ACHE
SCHEMBL10405560 0.92 ACHE (0.38) THRBTSHRHRH4HRH3ACHE
SCHEMBL3132587 0.92 ACHE (0.38) THRBTSHRHRH4HRH3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564282-B1 CURABLE COMPOSITION FOR USE IN A HIGH TEMPERATURE PHOTOPOLYMERISATION METHOD ON A LITHOGRAPHY BASIS AND PROCESS FOR THE PREPARATION OF CROSS-LINKED POLYMERS THEREFROM ALIGN TECHNOLOGY INC (US) 2023-06-07 EP disclosed
US-9580441-B2 Dental compositions based on polymerizable resins containing isosorbide DENTSPLY INTERNATIONAL INC. (US) 2017-02-28 US disclosed