SCHEMBL19821795

SCHEMBL19821795

CCC(C)(C)OC(=O)CC(C)CO

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3423225 0.83 CYP2D6 (0.32) CYP2D6
SCHEMBL94716 0.82 CYP2D6 (0.46) CYP2D6TDP1
SCHEMBL19822053 0.82 MMP1 (0.39) CYP2D6TSHRALDH1A1TDP1
SCHEMBL3946941 0.82 CYP2D6 (0.46) CYP2D6TDP1
SCHEMBL3944170 0.82 CYP2D6 (0.46) CYP2D6TDP1
Water SCHEMBL28072445 0.81 CYP2D6 (0.31) CYP2D6
Hydrogen Peroxide SCHEMBL27629169 0.81 CYP2D6 (0.31) CYP2D6
SCHEMBL19822061 0.81 VCAM1 (0.38) CYP2D6TSHRALDH1A1TDP1
SCHEMBL18290493 0.79
SCHEMBL18534234 0.78 CYP2D6 (0.33) CYP2D6TSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773266-B2 Polymer, molded body, foam, resin composition, and production method for polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-03 US disclosed
US-20230129965-A1 HYDROPHILIC AND OLEOPHOBIC POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-04-27 US disclosed
US-20180030175-A1 POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-01 US disclosed