SCHEMBL6562277

SCHEMBL6562277

CCCCC(C)NC(N)=S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
DPP8 Q6V1X1 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
SLC15A1 P46059 1/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
DPP4 P27487 1/20 0.35
DPP9 Q86TI2 1/20 0.35
OPRM1 P35372 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
ADRB2 P07550 4/20 0.34
MLYCD O95822 1/20 0.34

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
SCHEMBL27517628 0.94 OPRM1 (0.43) TAS1R3TAS1R1TAS1R2CA1ADH1B
SCHEMBL11048708 0.92 ADH1B (0.46) TAS1R3TAS1R1TAS1R2ADH1BADH1C
SCHEMBL27540660 0.92 ADH1B (0.46) TAS1R3TAS1R1TAS1R2ADH1BADH1C
SCHEMBL21064666 0.86
SCHEMBL4625897 0.83 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL3896553 0.80 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL1829144 0.80 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL11593272 0.78 ADH1B (0.44) TAS1R3TAS1R1TAS1R2CA1ADH1B
SCHEMBL4840256 0.78 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL11809597 0.78 CA1 (0.38) CA1CA2DPP8DPP7SLC15A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230320941-A1 DENTAL COMPOSITION, KIT AND METHOD FOR USE AS ALTERNATIVE RESTORATIVE MATERIAL TO DENTAL AMALGAM SDI LIMITED (AU) 2023-10-12 US disclosed
EP-4196077-A1 DENTAL COMPOSITION, KIT AND METHOD FOR USE AS ALTERNATIVE RESTORATIVE MATERIAL TO DENTAL AMALGAM Sdi Limited (AU) 2023-06-21 EP disclosed
WO-2022032351-A1 DENTAL COMPOSITION, KIT AND METHOD FOR USE AS ALTERNATIVE RESTORATIVE MATERIAL TO DENTAL AMALGAM SDI LIMITED (AU) 2022-02-17 WO disclosed
EP-1085009-B1 INDAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2004-11-10 EP disclosed
EP-0934296-B1 CHROMAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2003-06-04 EP disclosed
US-6486178-B1 Indane derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-26 US disclosed
EP-1085009-A1 INDAN DERIVATIVES Nissan Chemical Industries, Ltd. (JP) 2001-03-21 EP disclosed
US-6066631-A Chroman derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 US disclosed
WO-2000012492-A1 BENZOXAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-09 WO disclosed
EP-0934296-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-08-11 EP disclosed
WO-1998004542-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-05 WO disclosed
US-3991008-A METHACRYLATE MONOMER, HYDROPEROXIDE OXIDIZER, THIOUREA REDUCING AGENT THE KENDALL COMPANY (US) 1976-11-09 US disclosed