SCHEMBL21281795

SCHEMBL21281795

C=C(C)C(=O)OCC1CC2CC(CC(C)(O)C(F)(F)F)C1S2

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL18457350 0.89 ALDH1A1 (0.38) ALDH1A1
SCHEMBL18400955 0.80 ALDH1A1 (0.40) ALDH1A1
SCHEMBL18457347 0.78 ALDH1A1 (0.38) ALDH1A1
SCHEMBL18400957 0.72 ALDH1A1 (0.39) ALDH1A1
SCHEMBL14533207 0.69 ALDH1A1 (0.41) ALDH1A1
SCHEMBL22317681 0.69 ALDH1A1 (0.41) ALDH1A1
SCHEMBL22336257 0.68 ALDH1A1 (0.40) ALDH1A1
SCHEMBL775914 0.67 — —
SCHEMBL18479696 0.67 ALDH1A1 (0.39) ALDH1A1
SCHEMBL9610645 0.67 TSHR (0.42) ALDH1A1

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
US-11786160-B2 Bio-electrode composition, bio-electrode, and method for manufacturing bio-electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-17 — — US disclosed
US-20190254548-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING BIO-ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-08-22 — — US disclosed
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