SCHEMBL26329272

SCHEMBL26329272

CCCCOC(C)(C)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CES2 O00748 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL26327534 0.84 CES1 (0.30) CES1
SCHEMBL10016204 0.79
SCHEMBL2813689 0.77 ADRB2 (0.38) CES1ADRB2ADRB1ADRB3CES2
SCHEMBL17553325 0.77 ADRB2 (0.38) CES1ADRB2ADRB1ADRB3CES2
SCHEMBL1118363 0.76
SCHEMBL11767470 0.75 ADRB2 (0.36) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL27916215 0.75 TSHR (0.37) CES1ADRB2ADRB1ADRB3CYP3A4
Fluoride SCHEMBL27392156 0.74 ADRB2 (0.39) CES1ADRB2ADRB1ADRB3CES2
Hydrochloric Acid SCHEMBL28139236 0.74 DNM1 (0.38) TSHRCA1CA2
SCHEMBL28275241 0.74 ADRB2 (0.39) CES1ADRB2ADRB1ADRB3CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11768434-B2 Polymer having a structure of polyamide, polyamide-imide, or polyimide, photosensitive resin composition, patterning process, photosensitive dry film, and protective film for electric and electronic parts SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-26 US disclosed