SCHEMBL28448964

SCHEMBL28448964

CC1(C)CCCC(C)(C)N1C([O])=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43
FFAR3 O14843 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
SCHEMBL28088669 0.81 TSHR (0.45) TSHRNFKB1CYP2C19FFAR3
SCHEMBL8613670 0.79 TSHR (0.43) TSHRNFKB1CYP2C19FFAR3
SCHEMBL10574423 0.79 TSHR (0.43) TSHRNFKB1CYP2C19FFAR3
SCHEMBL9067554 0.79 TSHR (0.48) TSHRNFKB1CYP2C19FFAR3
Hydrochloric Acid SCHEMBL11196712 0.77 TSHR (0.47) TSHRNFKB1CYP2C19FFAR3
SCHEMBL2278363 0.77 TSHR (0.42) TSHRNFKB1CYP2C19FFAR3
SCHEMBL8527302 0.77 TSHR (0.42) TSHRNFKB1CYP2C19FFAR3
SCHEMBL771854 0.77 TSHR (0.42) TSHRNFKB1CYP2C19FFAR3
SCHEMBL15634227 0.75 TSHR (0.41) TSHRNFKB1CYP2C19
Lithium Ion SCHEMBL193911 0.75 TSHR (0.41) TSHRNFKB1CYP2C19

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
CN-108140864-B Redox flow battery for storing electrical energy and use thereof 耶拿电池有限公司 2021-09-17 CN disclosed
CN-106795349-B Flexible elastomeric rubber compound with improved dielectric and tear strength for cold-shrink joints and method of making same 陶氏环球技术有限责任公司 2020-09-08 CN disclosed