SCHEMBL4440645

SCHEMBL4440645

CCC(CC)C(=O)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
USP2 O75604 1/20 0.46
CA2 P00918 5/20 0.37
MAPK1 P28482 1/20 0.37
CA1 P00915 3/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDF Q9HBH1 1/20 0.33
MEN1 O00255 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
SCHEMBL6115797 0.85 CHRM1 (0.48) TSHRUSP2CA2MAPK1CA1
SCHEMBL2874645 0.85 USP2 (0.39) TSHRUSP2CA2MAPK1CA1
SCHEMBL15314155 0.85 CHRM1 (0.48) TSHRUSP2CA2MAPK1CA1
SCHEMBL24069481 0.83 USP2 (0.38) TSHRUSP2CA2MAPK1CA1
SCHEMBL3305706 0.83 USP2 (0.38) TSHRUSP2CA2MAPK1CA1
SCHEMBL19759002 0.83 ALDH1A1 (0.39) TSHRUSP2CA2MAPK1CA1
SCHEMBL13255492 0.81 USP2 (0.37) TSHRUSP2CA2MAPK1SLC1A3
SCHEMBL2541025 0.81 USP2 (0.37) TSHRUSP2CA2MAPK1CA1
SCHEMBL25490188 0.81 USP2 (0.41) TSHRUSP2CA2MAPK1PDF
SCHEMBL1882756 0.81 CA2 (0.59) USP2CA2MAPK1CA1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446019-B1 WATER CONTINUOUS FOOD PRODUCT WITH COOLING FLAVOUR UNILEVER NV (NL) 2007-03-14 EP claimed
US-20050013846-A1 Water continuous food product with cooling flavour UNILEVER BESTFOODS, NORTH AMERICA, DIVISION OF CONOPCO, INC. 2005-01-20 US claimed
EP-1446019-A1 WATER CONTINUOUS FOOD PRODUCT WITH COOLING FLAVOUR UNILEVER N.V. (NL) 2004-08-18 EP claimed
WO-2003043431-A1 WATER CONTINUOUS FOOD PRODUCT WITH COOLING FLAVOUR UNILEVER N.V. (NL) 2003-05-30 WO claimed
US-20230359123-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION NISSAN CHEMICAL CORPORATION (JP) 2023-11-09 US disclosed
US-11798810-B2 Resist underlayer film-forming composition containing amide solvent NISSAN CHEMICAL CORPORATION (JP) 2023-10-24 US disclosed
US-11798810-B2 Resist underlayer film-forming composition containing amide solvent NISSAN CHEMICAL CORPORATION (JP) 2023-10-24 US disclosed
US-20230259031-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION NISSAN CHEMICAL CORPORATION (JP) 2023-08-17 US disclosed
US-20230259031-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION NISSAN CHEMICAL CORPORATION (JP) 2023-08-17 US disclosed
US-20230203299-A1 RESIST UNDERLAYER FILM- FORMING COMPOSITION USING DIARYLMETHANE DERIVATIVE NISSAN CHEMICAL CORPORATION (JP) 2023-06-29 US disclosed
US-20230161246-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION NISSAN CHEMICAL CORPORATION (JP) 2023-05-25 US disclosed
US-20230137360-A1 COMPOSITION FOR FORMING RESIST UNDERLAYER FILM NISSAN CHEMICAL CORPORATION (JP) 2023-05-04 US disclosed
US-4230688-A FOODS, TOILETRIES WILKINSON SWORD LIMITED (GB) 1980-10-28 US disclosed
EP-0017604-A1 Process for producing perfuming compositions and perfumed products, and compositions and products so obtained RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1980-10-15 EP disclosed
US-4216172-A Preparation of cyclobutanones BAYER AKTIENGESELLSCHAFT (DE) 1980-08-05 US disclosed
US-4190643-A P-METHANE-3-CARBOXAMIDES STIMULANTS WILKINSON SWORD LIMITED (GB) 1980-02-26 US disclosed
US-4153679-A IN TOILETRIES, FOODS, BEVERAGES AND TOBACCO PRODUCTS WILKINSON SWORD LIMITED (GB) 1979-05-08 US disclosed
US-4137305-A TOBACCO WILKINSON SWORD LIMITED (GB) 1979-01-30 US disclosed
US-4137304-A TOPICAL OR ORAL ADMINISTERED TOBACCO PRODUCT WILKINSON SWORD LIMITED (GB) 1979-01-30 US disclosed
US-4136164-A FOR USE IN FOODS, TOPICAL PREPARATIONS, AND TOBACCO WILKINSON SWORD LIMITED (GB) 1979-01-23 US disclosed